Ligand source activities (1 row/activity)





Ligands (move mouse cursor over ligand name to see structure) Receptor Activity Chemical information
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DOI

24986380 74955 0 None - 1 Human 11.0 pEC50 = 11 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032300 74955 0 None - 1 Human 11.0 pEC50 = 11 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3ccn4CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2012.04.095
11452022 3594 39 None -1 6 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
6996 3594 39 None -1 6 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
CHEMBL366208 3594 39 None -1 6 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
44547315 73665 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018176 73665 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
57522815 76442 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 493 10 2 6 5.5 CCc1c(CCNCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059683 76442 0 None - 1 Human 10.8 pEC50 = 10.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 493 10 2 6 5.5 CCc1c(CCNCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
46884020 8438 0 None 8 4 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1093686 8438 0 None 8 4 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
57522939 76443 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 507 10 1 6 5.8 CCc1c(CCN(C)CC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059684 76443 0 None - 1 Human 10.7 pEC50 = 10.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 507 10 1 6 5.8 CCc1c(CCN(C)CC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
53362086 116353 0 None -2 7 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None -2 7 Human 10.7 pEC50 = 10.7 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
67250226 116352 0 None -3 7 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None -3 7 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
70696401 74956 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 459 7 1 6 5.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3c(Cl)cn4CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032301 74956 0 None - 1 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 459 7 1 6 5.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3c(Cl)cn4CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2012.04.095
10883396 3647 45 None -1 15 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.006
5283560 3647 45 None -1 15 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.006
911 3647 45 None -1 15 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.006
CHEMBL225155 3647 45 None -1 15 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.006
11502996 158725 42 None -5 3 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4093489 158725 42 None -5 3 Human 10.6 pEC50 = 10.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
11502996 158725 42 None 5 3 Rat 10.5 pEC50 = 10.5 Functional
Agonist activity at rat S1P1 receptor assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at rat S1P1 receptor assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4093489 158725 42 None 5 3 Rat 10.5 pEC50 = 10.5 Functional
Agonist activity at rat S1P1 receptor assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at rat S1P1 receptor assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
44412971 138932 0 None 102 3 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 445 7 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL378436 138932 0 None 102 3 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 445 7 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
49839234 117949 1 None -3 8 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None -3 8 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
70681258 73683 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 424 7 2 5 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(N)=O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018320 73683 0 None - 1 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 424 7 2 5 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(N)=O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
70694325 74971 0 None 7943 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 2 4 5.8 O=C(O)CNCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032428 74971 0 None 7943 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 2 4 5.8 O=C(O)CNCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
70681687 74973 0 None 6309 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 2 4 5.8 O=C(O)CCNCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032430 74973 0 None 6309 2 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 2 4 5.8 O=C(O)CCNCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
53235481 151140 0 None -6 3 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human S1P1 assessed as stimulation of cAMP accumulationAgonist activity at human S1P1 assessed as stimulation of cAMP accumulation
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3959509 151140 0 None -6 3 Human 10.5 pEC50 = 10.5 Functional
Agonist activity at human S1P1 assessed as stimulation of cAMP accumulationAgonist activity at human S1P1 assessed as stimulation of cAMP accumulation
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
67250226 116352 0 None 1 7 Rhesus macaque 10.4 pEC50 = 10.4 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None 1 7 Rhesus macaque 10.4 pEC50 = 10.4 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
70683347 73684 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 438 7 2 5 5.0 CNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12 10.1016/j.bmcl.2012.02.083
CHEMBL2018321 73684 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 438 7 2 5 5.0 CNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12 10.1016/j.bmcl.2012.02.083
70695743 73184 0 None 39810 2 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 516 9 1 6 6.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3CCC(=O)O)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011746 73184 0 None 39810 2 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 516 9 1 6 6.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3CCC(=O)O)s1 10.1016/j.bmcl.2012.02.016
49839234 117949 1 None -1 8 Dog 10.4 pEC50 = 10.4 Functional
Agonist activity at dog S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at dog S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None -1 8 Dog 10.4 pEC50 = 10.4 Functional
Agonist activity at dog S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at dog S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
44623998 1594 38 None -3 8 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None -3 8 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None -3 8 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None -3 8 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
49872506 117604 1 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 419 7 3 5 4.1 CC(C)Oc1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3400909 117604 1 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 419 7 3 5 4.1 CC(C)Oc1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
49872600 117605 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 460 7 3 3 5.6 CC(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
CHEMBL3400910 117605 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 460 7 3 3 5.6 CC(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
49873101 117961 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 497 7 1 5 6.2 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
CHEMBL3403630 117961 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 497 7 1 5 6.2 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
49873102 117962 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3403631 117962 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
49872980 117963 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 507 6 1 4 7.1 O=C(O)CC1OCCn2c1c(Cl)c1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3403632 117963 0 None - 1 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 507 6 1 4 7.1 O=C(O)CC1OCCn2c1c(Cl)c1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
49839234 117949 1 None 1 8 Rat 10.4 pEC50 = 10.4 Functional
Agonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None 1 8 Rat 10.4 pEC50 = 10.4 Functional
Agonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at rat S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
46174905 116286 0 None 162 3 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3358955 116286 0 None 162 3 Human 10.4 pEC50 = 10.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
67250226 116352 0 None -1 7 Dog 10.3 pEC50 = 10.3 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None -1 7 Dog 10.3 pEC50 = 10.3 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
53362086 116353 0 None 1 7 Dog 10.3 pEC50 = 10.3 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None 1 7 Dog 10.3 pEC50 = 10.3 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
52938549 142597 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 406 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCF)no2)cc1C#N nan
CHEMBL3891354 142597 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 406 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCF)no2)cc1C#N nan
58344550 142845 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCOCC3)no2)cc1C#N nan
CHEMBL3893180 142845 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCOCC3)no2)cc1C#N nan
58344711 142942 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 417 6 2 7 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN)no2)cc1C#N nan
CHEMBL3894084 142942 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 417 6 2 7 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN)no2)cc1C#N nan
67194420 143010 0 None 645 4 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 468 8 2 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N nan
CHEMBL3894716 143010 0 None 645 4 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 468 8 2 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCO)no2)cc1C#N nan
68300617 143141 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 431 7 2 7 3.4 CNC(=O)CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3895822 143141 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 431 7 2 7 3.4 CNC(=O)CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344764 143151 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 9 2 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)CCO)no2)cc1C#N nan
CHEMBL3895901 143151 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 9 2 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)CCO)no2)cc1C#N nan
52939914 143228 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 8 4.2 COC(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3896496 143228 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 8 4.2 COC(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344591 143299 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 374 5 1 6 4.3 CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3897106 143299 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 374 5 1 6 4.3 CN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344549 143559 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 501 6 2 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(CO)CC3)no2)cc1C#N nan
CHEMBL3899152 143559 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 501 6 2 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(CO)CC3)no2)cc1C#N nan
58344646 143623 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 416 5 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(O)C3)no2)cc1C#N nan
CHEMBL3899733 143623 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 416 5 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(O)C3)no2)cc1C#N nan
58344748 143656 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 6 1 8 4.6 COC(=O)C1CCN(C(=O)N[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
CHEMBL3899952 143656 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 6 1 8 4.6 COC(=O)C1CCN(C(=O)N[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
52939289 143949 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 7 1 6 5.0 CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3902406 143949 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 7 1 6 5.0 CCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344635 144021 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCOCC3)no2)cc1C#N nan
CHEMBL3902939 144021 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCOCC3)no2)cc1C#N nan
58344612 144282 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 6 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)N(C)C)C3)no2)cc1C#N nan
CHEMBL3905058 144282 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 6 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)N(C)C)C3)no2)cc1C#N nan
58344524 144366 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 431 5 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3905765 144366 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 431 5 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N(C)C)no2)cc1C#N nan
52938927 144436 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 1 7 3.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCC3)no2)cc1C#N nan
CHEMBL3906427 144436 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 1 7 3.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCC3)no2)cc1C#N nan
52938803 144547 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 5 1 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCC(O)CC3)no2)cc1C#N nan
CHEMBL3907353 144547 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 5 1 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCC(O)CC3)no2)cc1C#N nan
52939528 144569 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 7 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCN(CCO)CC3)no2)cc1C#N nan
CHEMBL3907543 144569 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 7 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCN(CCO)CC3)no2)cc1C#N nan
58344665 145007 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](N)C3)no2)cc1C#N nan
CHEMBL3910977 145007 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](N)C3)no2)cc1C#N nan
58344709 145271 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 551 8 1 9 2.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CCOCC3)no2)cc1C#N nan
CHEMBL3912931 145271 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 551 8 1 9 2.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CCOCC3)no2)cc1C#N nan
58344522 145542 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 4 1 5 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F nan
CHEMBL3915065 145542 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 4 1 5 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F nan
58344718 145780 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 434 8 3 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@H](O)CO)no2)cc1C#N nan
CHEMBL3916821 145780 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 434 8 3 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@H](O)CO)no2)cc1C#N nan
58344716 145933 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@@H](C)CO)no2)cc1C#N nan
CHEMBL3918031 145933 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@@H](C)CO)no2)cc1C#N nan
52939412 145955 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 5 1 7 4.4 COC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3918159 145955 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 5 1 7 4.4 COC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
89788823 145974 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 511 11 3 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCNCCO)no2)cc1C#N nan
CHEMBL3918328 145974 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 511 11 3 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCNCCO)no2)cc1C#N nan
58344498 146001 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 1 7 4.3 COCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3918503 146001 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 1 7 4.3 COCCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52939784 146154 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CCOC3=O)no2)cc1C#N nan
CHEMBL3919810 146154 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CCOC3=O)no2)cc1C#N nan
52938806 146172 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 347 4 1 6 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C#N nan
CHEMBL3919920 146172 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 347 4 1 6 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C#N nan
58344846 146177 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3919959 146177 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
58344556 146290 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN(C)C)no2)cc1C#N nan
CHEMBL3920863 146290 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN(C)C)no2)cc1C#N nan
52939414 146294 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 5 1 7 4.4 COC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3920889 146294 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 5 1 7 4.4 COC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52938925 146520 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 347 4 1 6 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N nan
CHEMBL3922629 146520 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 347 4 1 6 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C#N nan
52939658 146714 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 434 8 3 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](O)CO)no2)cc1C#N nan
CHEMBL3924073 146714 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 434 8 3 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](O)CO)no2)cc1C#N nan
134141745 146747 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 420 7 2 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N(CO)CO)no2)cc1C#N nan
CHEMBL3924318 146747 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 420 7 2 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N(CO)CO)no2)cc1C#N nan
52939654 146819 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 7 2 8 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)OCCO)no2)cc1C#N nan
CHEMBL3924832 146819 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 7 2 8 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)OCCO)no2)cc1C#N nan
58344783 146975 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 1 7 3.8 COCC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3926299 146975 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 1 7 3.8 COCC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52939166 147009 9 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 5 1 6 4.2 CC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3926586 147009 9 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 5 1 6 4.2 CC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52939657 147032 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 403 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN)no2)cc1C#N nan
CHEMBL3926787 147032 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 403 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN)no2)cc1C#N nan
58344864 147095 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 2 8 3.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3927322 147095 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 2 8 3.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
58344898 147434 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 2 8 3.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3930042 147434 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 2 8 3.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
58344894 147501 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCOCC3)no2)cc1C#N nan
CHEMBL3930528 147501 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 7 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCOCC3)no2)cc1C#N nan
58344883 147651 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3931604 147651 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
58344542 147674 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCS(C)(=O)=O)no2)cc1C#N nan
CHEMBL3931785 147674 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCS(C)(=O)=O)no2)cc1C#N nan
58344586 147998 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 7 2 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(CC(=O)O)CC3)no2)cc1C#N nan
CHEMBL3934309 147998 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 7 2 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(CC(=O)O)CC3)no2)cc1C#N nan
58344819 148018 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCS(C)(=O)=O)no2)cc1C#N nan
CHEMBL3934482 148018 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCS(C)(=O)=O)no2)cc1C#N nan
52939655 148024 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CCOC3=O)no2)cc1C#N nan
CHEMBL3934530 148024 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CCOC3=O)no2)cc1C#N nan
58344685 148085 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 543 7 1 8 5.0 COC(=O)CC1CCN(C(=O)N[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
CHEMBL3935065 148085 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 543 7 1 8 5.0 COC(=O)CC1CCN(C(=O)N[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
58344814 148218 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 6 1 8 4.6 COC(=O)C1CCN(C(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
CHEMBL3936105 148218 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 6 1 8 4.6 COC(=O)C1CCN(C(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
58344901 148425 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 6 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)O)C3)no2)cc1C#N nan
CHEMBL3937763 148425 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 6 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)O)C3)no2)cc1C#N nan
58344763 148464 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 515 6 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(C(=O)O)CC3)no2)cc1C#N nan
CHEMBL3938039 148464 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 515 6 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(C(=O)O)CC3)no2)cc1C#N nan
58344841 148498 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCNCC3)no2)cc1C#N nan
CHEMBL3938278 148498 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCNCC3)no2)cc1C#N nan
52938305 148576 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNS(=O)(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3939008 148576 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNS(=O)(=O)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52938424 148729 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 429 5 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCNCC3)no2)cc1C#N nan
CHEMBL3940245 148729 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 429 5 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCNCC3)no2)cc1C#N nan
58344644 148762 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 6 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CC(C(=O)N(C)C)C3)no2)cc1C#N nan
CHEMBL3940511 148762 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 6 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CC(C(=O)N(C)C)C3)no2)cc1C#N nan
52938928 148910 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 7 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCC3)no2)cc1C#N nan
CHEMBL3941756 148910 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 7 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCC3)no2)cc1C#N nan
58344790 149053 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)CC(=O)O)no2)cc1C#N nan
CHEMBL3942853 149053 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)CC(=O)O)no2)cc1C#N nan
58344871 149184 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)C(=O)CO)no2)cc1C#N nan
CHEMBL3943755 149184 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)C(=O)CO)no2)cc1C#N nan
52939916 149305 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 8 4.2 CC(=O)OCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3944842 149305 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 8 4.2 CC(=O)OCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344622 149350 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 8 2 8 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)O)no2)cc1C#N nan
CHEMBL3945226 149350 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 8 2 8 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)O)no2)cc1C#N nan
52939169 149634 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 406 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCF)no2)cc1C#N nan
CHEMBL3947288 149634 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 406 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCF)no2)cc1C#N nan
58344707 149654 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 9 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN(C)C)no2)cc1C#N nan
CHEMBL3947411 149654 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 9 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN(C)C)no2)cc1C#N nan
68300608 149660 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 6 1 7 3.7 CNC(=O)C1CN([C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)C1 nan
CHEMBL3947465 149660 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 6 1 7 3.7 CNC(=O)C1CN([C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)C1 nan
89788777 149944 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3949785 149944 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@@H](O)C3)no2)cc1C#N nan
58344551 150226 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 438 6 1 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N nan
CHEMBL3952253 150226 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 438 6 1 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(C)(=O)=O)no2)cc1C#N nan
134144722 150446 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 7 4.2 CCOCC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3954097 150446 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 8 1 7 4.2 CCOCC(=O)NC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344650 150477 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 8 2 9 2.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CC(O)C3)no2)cc1C#N nan
CHEMBL3954350 150477 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 8 2 9 2.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CC(O)C3)no2)cc1C#N nan
58344892 150553 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3954873 150553 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](O)C3)no2)cc1C#N nan
58344509 150571 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)CCO)no2)cc1C#N nan
CHEMBL3955035 150571 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)CCO)no2)cc1C#N nan
52938804 150883 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1OCC nan
CHEMBL3957449 150883 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1OCC nan
58344675 150891 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3957491 150891 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](O)C3)no2)cc1C#N nan
58344887 150919 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 8 1 7 4.4 CCN(CCO)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3957713 150919 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 8 1 7 4.4 CCN(CCO)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344619 150965 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3958210 150965 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@@H](O)C3)no2)cc1C#N nan
52938805 151239 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1OCC nan
CHEMBL3960138 151239 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1OCC nan
52939168 151287 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 424 7 1 6 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(F)F)no2)cc1C#N nan
CHEMBL3960551 151287 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 424 7 1 6 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(F)F)no2)cc1C#N nan
52938180 151544 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 464 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)C3CC3)no2)cc1C#N nan
CHEMBL3963066 151544 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 464 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)C3CC3)no2)cc1C#N nan
58344567 151664 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 416 5 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CC(O)C3)no2)cc1C#N nan
CHEMBL3964002 151664 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 416 5 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N3CC(O)C3)no2)cc1C#N nan
58344770 151668 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 515 6 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(C(=O)O)CC3)no2)cc1C#N nan
CHEMBL3964055 151668 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 515 6 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(C(=O)O)CC3)no2)cc1C#N nan
89787335 151762 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 507 9 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCC3)no2)cc1C#N nan
CHEMBL3964817 151762 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 507 9 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCC3)no2)cc1C#N nan
52938548 151831 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 5 3 6 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=N)N)no2)cc1C#N nan
CHEMBL3965400 151831 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 5 3 6 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=N)N)no2)cc1C#N nan
52939288 151839 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 374 5 1 6 4.3 CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3965441 151839 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 374 5 1 6 4.3 CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
68300855 152025 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 461 9 3 8 2.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)NCCO)no2)cc1C#N nan
CHEMBL3967098 152025 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 461 9 3 8 2.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)NCCO)no2)cc1C#N nan
52938053 152026 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 1 8 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3cncs3)no2)cc1C#N nan
CHEMBL3967100 152026 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 1 8 5.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3cncs3)no2)cc1C#N nan
89788838 152142 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 523 9 2 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC(O)C3)no2)cc1C#N nan
CHEMBL3968024 152142 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 523 9 2 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC(O)C3)no2)cc1C#N nan
58344664 152266 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 390 4 1 5 4.8 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F nan
CHEMBL3969165 152266 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 390 4 1 5 4.8 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1C(F)(F)F nan
58344540 152319 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)CN(C)C)no2)cc1C#N nan
CHEMBL3969712 152319 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)CN(C)C)no2)cc1C#N nan
58344876 152427 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 565 8 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CCC(O)CC3)no2)cc1C#N nan
CHEMBL3970705 152427 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 565 8 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N3CCC(O)CC3)no2)cc1C#N nan
58344660 152442 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@H](C)O)no2)cc1C#N nan
CHEMBL3970830 152442 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@H](C)O)no2)cc1C#N nan
58344745 152548 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 510 9 1 9 3.5 COC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3971646 152548 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 510 9 1 9 3.5 COC(=O)CCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344878 152662 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@H](C)CO)no2)cc1C#N nan
CHEMBL3972549 152662 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N[C@H](C)CO)no2)cc1C#N nan
58344568 152809 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 7 2 8 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)OCCO)no2)cc1C#N nan
CHEMBL3973804 152809 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 448 7 2 8 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)OCCO)no2)cc1C#N nan
58344842 152939 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@H](C)CO)no2)cc1C#N nan
CHEMBL3975029 152939 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@H](C)CO)no2)cc1C#N nan
58344624 153071 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 509 8 1 8 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3976048 153071 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 509 8 1 8 3.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CC(=O)N(C)C)no2)cc1C#N nan
58344805 153197 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(O)CC3)no2)cc1C#N nan
CHEMBL3977164 153197 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(O)CC3)no2)cc1C#N nan
58344642 153231 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3977376 153231 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC[C@H](O)C3)no2)cc1C#N nan
89787333 153306 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 464 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)C3CC3)no2)cc1C#N nan
CHEMBL3978076 153306 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 464 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)C3CC3)no2)cc1C#N nan
52938304 153500 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCS(C)(=O)=O)no2)cc1C#N nan
CHEMBL3979740 153500 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 466 8 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCS(C)(=O)=O)no2)cc1C#N nan
58344686 153509 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 388 6 1 6 4.7 CCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3979815 153509 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 388 6 1 6 4.7 CCN[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52939915 154054 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 458 6 0 8 4.2 COC(=O)C1CN(C2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)C1 nan
CHEMBL3984513 154054 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 458 6 0 8 4.2 COC(=O)C1CN(C2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)C1 nan
58344775 154179 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 8 2 8 2.7 CNC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3985742 154179 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 8 2 8 2.7 CNC(=O)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
89787334 154357 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 496 10 1 8 4.0 CCOCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3987033 154357 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 496 10 1 8 4.0 CCOCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344532 154364 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3987097 154364 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
67250226 116352 0 None -1 7 Mouse 10.3 pEC50 = 10.3 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None -1 7 Mouse 10.3 pEC50 = 10.3 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
49839234 117949 1 None -1 8 Mouse 10.3 pEC50 = 10.3 Functional
Agonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None -1 8 Mouse 10.3 pEC50 = 10.3 Functional
Agonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at mouse S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
53362086 116353 0 None -1 7 Rat 10.3 pEC50 = 10.3 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None -1 7 Rat 10.3 pEC50 = 10.3 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
44548061 73682 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 453 9 2 5 6.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018319 73682 0 None - 1 Human 10.3 pEC50 = 10.3 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 453 9 2 5 6.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
53362086 116353 0 None -1 7 Rhesus macaque 10.2 pEC50 = 10.2 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None -1 7 Rhesus macaque 10.2 pEC50 = 10.2 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
49839234 117949 1 None -3 8 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None -3 8 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
10883396 3647 45 None -1 15 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml500389m
5283560 3647 45 None -1 15 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml500389m
911 3647 45 None -1 15 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml500389m
CHEMBL225155 3647 45 None -1 15 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml500389m
53362086 116353 0 None -1 7 Mouse 10.2 pEC50 = 10.2 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None -1 7 Mouse 10.2 pEC50 = 10.2 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
58329611 116349 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359519 116349 0 None - 1 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
44412936 138764 0 None 213 3 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 405 8 1 6 4.8 CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C#N 10.1016/j.bmcl.2006.04.084
CHEMBL378054 138764 0 None 213 3 Human 10.2 pEC50 = 10.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 405 8 1 6 4.8 CC[C@H](C)Oc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C#N 10.1016/j.bmcl.2006.04.084
11619303 158948 0 None 3 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4095920 158948 0 None 3 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
67250226 116352 0 None -1 7 Rat 10.1 pEC50 = 10.1 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None -1 7 Rat 10.1 pEC50 = 10.1 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
44602504 116278 6 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358912 116278 6 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
44623997 116277 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358911 116277 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
25192001 8057 0 None 2 4 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1091103 8057 0 None 2 4 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
70683348 73685 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 449 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCc5nnn[nH]5)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018322 73685 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 449 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCc5nnn[nH]5)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
70694327 74977 0 None 12589 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 494 6 1 4 6.8 O=C(O)CCN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032434 74977 0 None 12589 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 494 6 1 4 6.8 O=C(O)CCN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
44138103 75781 0 None -2 4 Human 10.1 pEC50 = 10.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Human 10.1 pEC50 = 10.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
24825338 77708 0 None 467 3 Human 10.1 pEC50 = 10.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 434 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL208924 77708 0 None 467 3 Human 10.1 pEC50 = 10.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 434 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
11689680 79638 0 None 102 3 Human 10.1 pEC50 = 10.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL211505 79638 0 None 102 3 Human 10.1 pEC50 = 10.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
44624141 116276 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 428 6 2 3 6.2 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)ccc1C1CCCCC1 10.1021/ml500389m
CHEMBL3358910 116276 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 428 6 2 3 6.2 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)ccc1C1CCCCC1 10.1021/ml500389m
25192005 7734 0 None 3 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1089004 7734 0 None 3 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
24825338 77708 0 None 467 3 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 434 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL208924 77708 0 None 467 3 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 434 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.04.084
58344520 146574 0 None 169 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3922998 146574 0 None 169 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCC(=O)N(C)C)no2)cc1C#N nan
67196597 147961 0 None 562 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 9 1 8 3.6 COCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3933952 147961 0 None 562 2 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 9 1 8 3.6 COCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
44624067 116285 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 O=C(O)C[C@@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358919 116285 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 O=C(O)C[C@@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
46174905 116286 0 None 162 3 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3358955 116286 0 None 162 3 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
54576288 76446 0 None 25118 2 Human 10.0 pEC50 = 10 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 547 9 1 6 6.6 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059687 76446 0 None 25118 2 Human 10.0 pEC50 = 10 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 547 9 1 6 6.6 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
44138103 75781 0 None 2 4 Rat 10.0 pEC50 = 10 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None 2 4 Rat 10.0 pEC50 = 10 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
11689680 79638 0 None 102 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL211505 79638 0 None 102 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
11626664 77926 0 None 239 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 455 7 1 6 5.1 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C(F)(F)F)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL209484 77926 0 None 239 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 455 7 1 6 5.1 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C(F)(F)F)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
44412994 78318 0 None 7 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 499 7 1 6 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL210942 78318 0 None 7 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 499 7 1 6 5.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
70690096 74984 0 None 1258 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 7 1 4 6.1 O=C(O)C1CN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
CHEMBL2032441 74984 0 None 1258 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 7 1 4 6.1 O=C(O)C1CN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
58344502 142843 0 None 398 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 5 2 7 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)no2)cc1C#N nan
CHEMBL3893172 142843 0 None 398 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 5 2 7 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC(O)C3)no2)cc1C#N nan
58344715 143071 0 None 575 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 468 8 2 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCO)no2)cc1C#N nan
CHEMBL3895230 143071 0 None 575 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 468 8 2 8 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCO)no2)cc1C#N nan
58344692 144920 0 None 758 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 5 2 7 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N nan
CHEMBL3910269 144920 0 None 758 3 Human 10.0 pEC50 = 10 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 5 2 7 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC(O)C3)no2)cc1C#N nan
76325522 105732 0 None 7413 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 480 10 3 8 3.2 CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126433 105732 0 None 7413 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 480 10 3 8 3.2 CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
68555865 105735 0 None 331 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126436 105735 0 None 331 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)nc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76310992 105738 0 None 239 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 480 10 3 8 3.1 CCc1cc(-c2noc(-c3cc(C)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126584 105738 0 None 239 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 480 10 3 8 3.1 CCc1cc(-c2noc(-c3cc(C)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76314622 105742 0 None 50 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 11 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCC2)n1 10.1021/jm4014696
CHEMBL3126588 105742 0 None 50 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 11 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCC2)n1 10.1021/jm4014696
76321895 105760 0 None 13489 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 12 3 8 3.4 CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126607 105760 0 None 13489 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 12 3 8 3.4 CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76336364 105773 0 None 4265 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 10 3 8 2.9 CCc1cc(-c2noc(-c3cnc(C(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126620 105773 0 None 4265 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 10 3 8 2.9 CCc1cc(-c2noc(-c3cnc(C(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76314625 105775 0 None 251 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126622 105775 0 None 251 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
68762699 105776 0 None 288 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1CC(C)C 10.1021/jm4014696
CHEMBL3126623 105776 0 None 288 2 Human 10.0 pEC50 = 10 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1CC(C)C 10.1021/jm4014696
16038017 139416 0 None 398 3 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 431 7 1 6 4.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OCC(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL379380 139416 0 None 398 3 Human 10.0 pEC50 = 10.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 431 7 1 6 4.5 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OCC(F)(F)F)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.084
11496072 146022 0 None 32 3 Human 9.9 pEC50 = 9.9 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 448 7 1 5 6.1 Cc1cc(C(C)CC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL391869 146022 0 None 32 3 Human 9.9 pEC50 = 9.9 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 448 7 1 5 6.1 Cc1cc(C(C)CC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
58344592 154564 0 None 100 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3921214 154564 0 None 100 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3991184 154564 0 None 100 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 445 7 1 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N(C)C)no2)cc1C#N nan
67249162 116350 0 None 912 2 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359520 116350 0 None 912 2 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
49872979 117957 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 473 6 1 4 6.4 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3403626 117957 0 None - 1 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 473 6 1 4 6.4 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
11222939 67573 9 None 4 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
44438254 67573 9 None 4 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL190006 67573 9 None 4 4 Human 9.9 pEC50 = 9.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
11603726 76828 0 None 588 3 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL206940 76828 0 None 588 3 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
58329611 116349 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359519 116349 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
67249162 116350 0 None 912 2 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359520 116350 0 None 912 2 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
49873283 117967 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 520 6 1 4 7.0 CN1CCn2c(c(Cl)c3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc32)C1CC(=O)O 10.1016/j.bmcl.2014.11.089
CHEMBL3403636 117967 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 520 6 1 4 7.0 CN1CCn2c(c(Cl)c3cc(OCc4ccc(C5CCCC5)c(C(F)(F)F)c4)ccc32)C1CC(=O)O 10.1016/j.bmcl.2014.11.089
54576291 76039 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 513 9 1 6 6.2 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
CHEMBL2057282 76039 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 513 9 1 6 6.2 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
70681688 74979 0 None 3162 2 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 494 6 1 4 6.5 O=C(O)C1CCN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032436 74979 0 None 3162 2 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 494 6 1 4 6.5 O=C(O)C1CCN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
52938427 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assayAgonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2019.06.042
5383 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assayAgonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2019.06.042
8709 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assayAgonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2019.06.042
CHEMBL3707247 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assayAgonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2019.06.042
DB12612 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assayAgonist activity at S1P1 (unknown origin) expressed in CHO-K1 cells using CC4-AM as substrate assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 4 hrs followed by substrate addition and measured after 2 hrs by FRET assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2019.06.042
52938427 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
5383 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
8709 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
CHEMBL3707247 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
DB12612 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) assessed as reduction in forskolin-induced cAMP accumulation after 4 hrs by fluorescence assay
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
44412828 77489 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 5 5.3 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(CC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL208718 77489 0 None - 1 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 5 5.3 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(CC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
52938427 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
5383 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
8709 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
CHEMBL3707247 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
DB12612 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
25110382 146107 0 None 354 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC nan
CHEMBL3919445 146107 0 None 354 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 366 6 1 6 4.2 CCOc1ccc(-c2nc(-c3cccc4c3CCC4O)no2)cc1OCC nan
58344526 150126 4 None 95 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N nan
CHEMBL3951270 150126 4 None 95 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N nan
58344778 154535 0 None 117 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N nan
CHEMBL3902160 154535 0 None 117 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N nan
CHEMBL3990889 154535 0 None 117 5 Human 9.8 pEC50 = 9.8 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N nan
11654374 78380 0 None 660 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 406 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL211046 78380 0 None 660 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 406 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
52938426 3374 12 None 70 5 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
9889 3374 12 None 70 5 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
CHEMBL3899384 3374 12 None 70 5 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
11568622 158199 0 None 1 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 450 9 1 5 4.7 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
CHEMBL4087932 158199 0 None 1 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISAAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by ELISA
ChEMBL 450 9 1 5 4.7 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
49848139 76395 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 419 9 1 6 5.0 CCc1c(CCCC(=O)O)cccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2059515 76395 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 419 9 1 6 5.0 CCc1c(CCCC(=O)O)cccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
44547461 73667 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c(CCC(=O)O)cc4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018178 73667 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c(CCC(=O)O)cc4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
10174255 85215 0 None 8 4 Human 9.7 pEC50 = 9.7 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1021/jm0492507
CHEMBL225575 85215 0 None 8 4 Human 9.7 pEC50 = 9.7 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1021/jm0492507
44412813 138668 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 7 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL377767 138668 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 7 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
11603726 76828 0 None 588 3 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL206940 76828 0 None 588 3 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
11646599 77664 0 None 1047 3 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 380 7 1 5 4.8 Cc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C 10.1016/j.bmcl.2006.04.084
CHEMBL208898 77664 0 None 1047 3 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 380 7 1 5 4.8 Cc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C 10.1016/j.bmcl.2006.04.084
57335019 70702 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.3 C[C@@](N)(CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950574 70702 0 None - 1 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.3 C[C@@](N)(CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
10174255 85215 0 None 8 4 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1016/j.bmcl.2013.09.058
CHEMBL225575 85215 0 None 8 4 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1016/j.bmcl.2013.09.058
25031140 105641 0 None 229 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3124957 105641 0 None 229 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
68553624 105739 0 None 234 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126585 105739 0 None 234 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76314621 105741 0 None 18 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 510 13 3 8 4.0 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C(CC)CC)n1 10.1021/jm4014696
CHEMBL3126587 105741 0 None 18 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 510 13 3 8 4.0 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C(CC)CC)n1 10.1021/jm4014696
76325532 105758 0 None 3801 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126605 105758 0 None 3801 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
44218002 105764 0 None 776 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126611 105764 0 None 776 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)c(CC(C)C)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76325533 105766 0 None 537 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126613 105766 0 None 537 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76318198 105768 0 None 3090 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)c(N(CC)CC)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126615 105768 0 None 3090 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)c(N(CC)CC)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76314624 105772 0 None 4365 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126619 105772 0 None 4365 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76321896 105777 0 None 120 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 11 3 8 3.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1C1CCCC1 10.1021/jm4014696
CHEMBL3126624 105777 0 None 120 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 11 3 8 3.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1C1CCCC1 10.1021/jm4014696
25031140 105641 0 None 229 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3124957 105641 0 None 229 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cc(C)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
127046184 139878 0 None 478 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 484 11 3 9 2.6 CCc1cc(-c2noc(-c3cc(C)nc(OC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3799305 139878 0 None 478 2 Human 9.7 pEC50 = 9.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 484 11 3 9 2.6 CCc1cc(-c2noc(-c3cc(C)nc(OC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
44439850 146025 0 None 24 3 Human 9.7 pEC50 = 9.7 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 446 6 1 5 5.7 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL391870 146025 0 None 24 3 Human 9.7 pEC50 = 9.7 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 446 6 1 5 5.7 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
44412704 139368 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 443 9 1 6 4.8 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(CF)CF)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL379310 139368 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 443 9 1 6 4.8 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(CF)CF)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
44138103 75781 0 None -2 4 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
54576290 76040 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 485 9 1 6 5.4 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
CHEMBL2057283 76040 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 485 9 1 6 5.4 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
57522812 76445 0 None 10000 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 505 8 1 6 5.8 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059686 76445 0 None 10000 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 505 8 1 6 5.8 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
54576289 76447 0 None 12589 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 519 9 1 6 5.8 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059688 76447 0 None 12589 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 519 9 1 6 5.8 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
44547318 73666 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018177 73666 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 2 5 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(CCC(=O)O)c[nH]c4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44547605 73672 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 460 7 2 6 5.1 CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1C(F)(F)F 10.1016/j.bmcl.2012.02.083
CHEMBL2018306 73672 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 460 7 2 6 5.1 CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1C(F)(F)F 10.1016/j.bmcl.2012.02.083
59384310 104389 0 None 2 3 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 511 13 3 7 5.2 CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F 10.1021/ml400194r
CHEMBL3102904 104389 0 None 2 3 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 511 13 3 7 5.2 CCCCCCCCOc1ccc(-c2nnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F 10.1021/ml400194r
46846899 139944 0 None 2511 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 9 1 7 4.9 CCCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3799701 139944 0 None 2511 2 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 9 1 7 4.9 CCCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
44413039 78010 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 421 8 1 6 5.2 CCC(C)Oc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
CHEMBL209778 78010 0 None - 1 Human 9.6 pEC50 = 9.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 421 8 1 6 5.2 CCC(C)Oc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
11452022 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
6996 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
CHEMBL366208 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
11452022 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
6996 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
CHEMBL366208 3594 39 None 1 6 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
2924 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
44398069 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
9908268 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
CHEMBL114606 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
11452022 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm050242f
6996 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm050242f
CHEMBL366208 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm050242f
45377662 84115 0 None 204 4 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 468 9 1 6 4.3 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207778 84115 0 None 204 4 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 468 9 1 6 4.3 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
11452022 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptorAgonist activity at SIP1 receptor
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2012.04.095
6996 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptorAgonist activity at SIP1 receptor
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2012.04.095
CHEMBL366208 3594 39 None -1 6 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptorAgonist activity at SIP1 receptor
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2012.04.095
57401335 70700 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 7 2 5 4.9 N[C@H](CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950572 70700 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 7 2 5 4.9 N[C@H](CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
49872602 117611 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 6 3 4 5.0 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(OC(F)(F)F)c(Cl)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3400916 117611 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 6 3 4 5.0 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(OC(F)(F)F)c(Cl)c3)cc21 10.1016/j.bmcl.2014.11.089
46846913 139677 0 None 2818 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 424 9 1 7 4.1 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1CC(C)C 10.1021/acs.jmedchem.6b00089
CHEMBL3797951 139677 0 None 2818 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 424 9 1 7 4.1 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1CC(C)C 10.1021/acs.jmedchem.6b00089
59982944 87589 0 None 7244 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 494 10 2 4 6.4 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(F)c1 10.1021/ml300396r
CHEMBL2336064 87589 0 None 7244 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 494 10 2 4 6.4 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(F)c1 10.1021/ml300396r
57570498 87610 0 None 5011 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 476 10 2 4 6.3 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336086 87610 0 None 5011 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 476 10 2 4 6.3 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
25031771 105733 0 None 5011 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.4 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
CHEMBL3126434 105733 0 None 5011 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.4 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
76325528 105743 0 None 7 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 11 3 8 3.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCC2)n1 10.1021/jm4014696
CHEMBL3126589 105743 0 None 7 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 11 3 8 3.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCC2)n1 10.1021/jm4014696
76336361 105756 1 None 12882 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126603 105756 1 None 12882 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
44218604 105761 0 None 100 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 13 3 9 2.9 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N(CC)CC 10.1021/jm4014696
CHEMBL3126608 105761 0 None 100 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 13 3 9 2.9 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N(CC)CC 10.1021/jm4014696
66829275 139630 0 None 147 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 12 3 9 2.8 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)sc1CN(C)C 10.1016/j.ejmech.2016.03.048
CHEMBL3797647 139630 0 None 147 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 12 3 9 2.8 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)sc1CN(C)C 10.1016/j.ejmech.2016.03.048
127046548 139601 0 None 234 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797447 139601 0 None 234 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cnc(C4CCCC4)c(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
68547259 139974 0 None 89 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 498 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(CC(C)C)nc(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3799872 139974 0 None 89 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 498 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(CC(C)C)nc(OC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127046185 140015 0 None 363 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 496 11 3 9 2.8 CCc1cc(-c2noc(-c3cc(C)nc(OC4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800120 140015 0 None 363 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 496 11 3 9 2.8 CCc1cc(-c2noc(-c3cc(C)nc(OC4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127047020 140018 0 None 72 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 496 11 3 9 2.8 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800133 140018 0 None 72 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 496 11 3 9 2.8 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
11662328 91763 0 None 33 3 Human 9.5 pEC50 = 9.5 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 448 7 1 5 5.8 Cc1cc(CC(C)C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL241050 91763 0 None 33 3 Human 9.5 pEC50 = 9.5 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 448 7 1 5 5.8 Cc1cc(CC(C)C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1016/j.bmcl.2006.10.057
44439851 145645 0 None 37 3 Human 9.5 pEC50 = 9.5 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL391581 145645 0 None 37 3 Human 9.5 pEC50 = 9.5 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
44547909 73686 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 453 8 1 6 5.8 CCn1cc(CCC(=O)O)c2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c21 10.1016/j.bmcl.2012.02.083
CHEMBL2018324 73686 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 453 8 1 6 5.8 CCn1cc(CCC(=O)O)c2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c21 10.1016/j.bmcl.2012.02.083
70688066 74963 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 1 4 6.8 O=C(O)CCCCCc1cnc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032311 74963 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 454 8 1 4 6.8 O=C(O)CCCCCc1cnc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
70692256 74972 0 None 3162 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 468 8 1 4 6.1 CN(CCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1)CC(=O)O 10.1016/j.bmcl.2012.04.095
CHEMBL2032429 74972 0 None 3162 2 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 468 8 1 4 6.1 CN(CCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1)CC(=O)O 10.1016/j.bmcl.2012.04.095
46174905 116286 0 None 162 3 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3358955 116286 0 None 162 3 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
44623998 1594 38 None -1 8 Rhesus macaque 9.5 pEC50 = 9.5 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None -1 8 Rhesus macaque 9.5 pEC50 = 9.5 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None -1 8 Rhesus macaque 9.5 pEC50 = 9.5 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None -1 8 Rhesus macaque 9.5 pEC50 = 9.5 Functional
Agonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at monkey S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
44623998 1594 38 None 1 8 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None 1 8 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None 1 8 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None 1 8 Rat 9.5 pEC50 = 9.5 Functional
Agonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at rat S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
67168136 144715 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3908750 144715 0 None - 1 Human 9.5 pEC50 = 9.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
44623998 1594 38 None -1 8 Dog 9.5 pEC50 = 9.5 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None -1 8 Dog 9.5 pEC50 = 9.5 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None -1 8 Dog 9.5 pEC50 = 9.5 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None -1 8 Dog 9.5 pEC50 = 9.5 Functional
Agonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at dog S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
25192001 8057 0 None 2 4 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1091103 8057 0 None 2 4 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
2924 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm901776q
44398069 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm901776q
9908268 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm901776q
CHEMBL114606 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm901776q
52938055 147613 0 None 478 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 9 1 8 3.6 COCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3931243 147613 0 None 478 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 9 1 8 3.6 COCCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
57402282 71659 0 None 25118 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935584 71659 0 None 25118 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963634 71659 0 None 25118 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
11452022 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
6996 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
CHEMBL366208 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2012.02.022
11452022 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
6996 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
CHEMBL366208 3594 39 None -1 6 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100301k
2924 1638 43 None 2 7 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
44398069 1638 43 None 2 7 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
9908268 1638 43 None 2 7 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
CHEMBL114606 1638 43 None 2 7 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
46846915 140011 0 None 15848 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 450 7 1 7 4.1 CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00089
CHEMBL3800091 140011 0 None 15848 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 450 7 1 7 4.1 CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00089
44547603 73668 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 426 7 2 6 4.7 CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018179 73668 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 426 7 2 6 4.7 CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44548059 73681 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 439 8 2 5 5.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018318 73681 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 439 8 2 5 5.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCCC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
70685935 74970 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 453 8 1 3 7.4 O=C(O)CCCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032318 74970 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 453 8 1 3 7.4 O=C(O)CCCCCc1ccc2oc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
70692258 74978 0 None 5011 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 481 5 1 5 5.4 O=C(O)CN1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032435 74978 0 None 5011 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 481 5 1 5 5.4 O=C(O)CN1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
70694328 74983 0 None 1995 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 466 6 1 4 5.7 O=C(O)C1CN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
CHEMBL2032440 74983 0 None 1995 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 466 6 1 4 5.7 O=C(O)C1CN(CCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
70689434 73185 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 530 9 1 6 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CCC(=O)O)c3c2ccn3C)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011747 73185 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 530 9 1 6 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CCC(=O)O)c3c2ccn3C)s1 10.1016/j.bmcl.2012.02.016
44412867 79740 0 None 660 3 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 420 7 1 5 5.1 CCOc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 10.1016/j.bmcl.2006.04.084
CHEMBL211689 79740 0 None 660 3 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 420 7 1 5 5.1 CCOc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 10.1016/j.bmcl.2006.04.084
44599207 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 10.1021/ml300396r
5326 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 10.1021/ml300396r
9289 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 10.1021/ml300396r
CHEMBL2336071 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 10.1021/ml300396r
DB12371 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 10.1021/ml300396r
44625752 87591 0 None 2754 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 554 10 2 4 7.0 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Br)c1 10.1021/ml300396r
CHEMBL2336066 87591 0 None 2754 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 554 10 2 4 7.0 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Br)c1 10.1021/ml300396r
57570486 87594 0 None 3235 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 11 2 4 7.1 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C2CC2)c1 10.1021/ml300396r
CHEMBL2336069 87594 0 None 3235 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 516 11 2 4 7.1 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C2CC2)c1 10.1021/ml300396r
11852437 105543 0 None 316 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 444 9 2 5 5.0 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(C)(C)CC2 10.1021/jm401456d
CHEMBL3121977 105543 0 None 316 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 444 9 2 5 5.0 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(C)(C)CC2 10.1021/jm401456d
76328931 105544 0 None 63 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 472 11 2 5 5.8 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(CC)(CC)CC2 10.1021/jm401456d
CHEMBL3121978 105544 0 None 63 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 472 11 2 5 5.8 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC(CC)(CC)CC2 10.1021/jm401456d
76325392 105546 0 None 154 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 470 9 2 5 5.5 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CCCC1)CC2 10.1021/jm401456d
CHEMBL3121980 105546 0 None 154 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 470 9 2 5 5.5 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CCCC1)CC2 10.1021/jm401456d
25032056 105734 0 None 776 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.8 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
CHEMBL3126435 105734 0 None 776 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.8 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
76314623 105745 0 None 2187 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 11 4 9 2.3 CCNc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
CHEMBL3126591 105745 0 None 2187 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 11 4 9 2.3 CCNc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1021/jm4014696
49871977 140048 0 None 239 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800336 140048 0 None 239 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(OC)nc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
52938427 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount methodAgonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
5383 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount methodAgonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
8709 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount methodAgonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
CHEMBL3707247 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount methodAgonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
DB12612 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount methodAgonist activity at S1P1 receptor (unknown origin) after 120 mins in presence of [35S]-GTPgammaS by Topcount method
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 10.1016/j.bmcl.2018.10.042
49872599 117953 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 473 6 2 3 6.5 O=C(O)CC1OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403622 117953 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 473 6 2 3 6.5 O=C(O)CC1OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
44624071 116283 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 445 7 2 2 6.5 CC(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
CHEMBL3358917 116283 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 445 7 2 2 6.5 CC(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
58537228 139943 0 None 2951 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 8 1 7 4.5 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3799693 139943 0 None 2951 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 8 1 7 4.5 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
46846906 140039 0 None 2290 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 8 1 7 4.5 CCCc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1021/acs.jmedchem.6b00089
CHEMBL3800257 140039 0 None 2290 2 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 8 1 7 4.5 CCCc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1021/acs.jmedchem.6b00089
59384375 104388 0 None 4 3 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 510 13 3 6 5.9 CCCCCCCCOc1ccc(-c2cnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F 10.1021/ml400194r
CHEMBL3102903 104388 0 None 4 3 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 510 13 3 6 5.9 CCCCCCCCOc1ccc(-c2cnc([C@@](C)(N)COP(=O)(O)O)s2)cc1C(F)(F)F 10.1021/ml400194r
44623998 1594 38 None -1 8 Mouse 9.4 pEC50 = 9.4 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None -1 8 Mouse 9.4 pEC50 = 9.4 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None -1 8 Mouse 9.4 pEC50 = 9.4 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None -1 8 Mouse 9.4 pEC50 = 9.4 Functional
Agonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at mouse S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
24825339 91764 0 None 66 3 Human 9.4 pEC50 = 9.4 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 392 7 1 7 3.8 Cc1nc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL241052 91764 0 None 66 3 Human 9.4 pEC50 = 9.4 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 392 7 1 7 3.8 Cc1nc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
44624203 116279 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 443 6 2 2 6.5 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358913 116279 0 None - 1 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 443 6 2 2 6.5 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
44591266 179298 0 None 2 4 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 443 13 4 5 4.2 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F 10.1016/j.bmcl.2008.11.072
CHEMBL473269 179298 0 None 2 4 Human 9.4 pEC50 = 9.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 443 13 4 5 4.2 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F 10.1016/j.bmcl.2008.11.072
44439851 145645 0 None 37 3 Human 9.4 pEC50 = 9.4 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL391581 145645 0 None 37 3 Human 9.4 pEC50 = 9.4 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
46835922 139453 13 None 4466 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3794064 139453 13 None 4466 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
49873106 117960 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 465 9 1 5 5.1 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OC(CF)CF)c(Cl)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3403629 117960 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 465 9 1 5 5.1 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OC(CF)CF)c(Cl)c3)ccc12 10.1016/j.bmcl.2014.11.089
44624142 116281 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 431 7 2 2 6.2 CCCc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
CHEMBL3358915 116281 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 431 7 2 2 6.2 CCCc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
58329604 116344 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 6 1 4 5.7 N#Cc1cc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)ccc1C1CCCC1 10.1021/ml500422m
CHEMBL3359514 116344 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 6 1 4 5.7 N#Cc1cc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)ccc1C1CCCC1 10.1021/ml500422m
10127475 166027 0 None 29 4 Human 9.3 pEC50 = 9.3 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
CHEMBL425563 166027 0 None 29 4 Human 9.3 pEC50 = 9.3 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
51036168 84129 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 512 9 1 6 5.4 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(CN3CC(C(=O)O)C3)c(C)c2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207793 84129 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 512 9 1 6 5.4 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(CN3CC(C(=O)O)C3)c(C)c2)s1 10.1016/j.bmcl.2012.09.110
44412882 77286 0 None 316 3 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 390 6 1 4 5.8 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL208168 77286 0 None 316 3 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 390 6 1 4 5.8 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
57396084 70696 0 None 2238 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950569 70696 0 None 2238 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57401336 70701 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 7 2 5 4.9 N[C@@H](CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950573 70701 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 7 2 5 4.9 N[C@@H](CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
52939049 142677 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 7 1 8 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCN(C)CC3)no2)cc1C#N nan
CHEMBL3892012 142677 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 7 1 8 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCN(C)CC3)no2)cc1C#N nan
52938677 142956 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 403 5 0 7 4.6 CC(=O)O[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3894218 142956 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 403 5 0 7 4.6 CC(=O)O[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344845 143166 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CCO)no2)cc1C#N nan
CHEMBL3895985 143166 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 1 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CCO)no2)cc1C#N nan
89787391 143322 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 450 7 1 6 5.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N nan
CHEMBL3897236 143322 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 450 7 1 6 5.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCc3ccccc3)no2)cc1C#N nan
58344804 143489 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 8 1 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)S(C)(=O)=O)no2)cc1C#N nan
CHEMBL3898672 143489 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 482 8 1 8 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)S(C)(=O)=O)no2)cc1C#N nan
58344661 143686 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 452 7 1 7 4.0 CCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3900230 143686 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 452 7 1 7 4.0 CCS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344899 143828 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 521 9 1 8 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCC3)no2)cc1C#N nan
CHEMBL3901430 143828 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 521 9 1 8 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCC3)no2)cc1C#N nan
58344652 143851 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 538 9 1 9 4.2 COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3901636 143851 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 538 9 1 9 4.2 COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344691 144121 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 443 7 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC3)no2)cc1C#N nan
CHEMBL3903701 144121 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 443 7 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC3)no2)cc1C#N nan
58344766 144126 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](N)C3)no2)cc1C#N nan
CHEMBL3903769 144126 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](N)C3)no2)cc1C#N nan
52938181 144176 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 507 9 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC3)no2)cc1C#N nan
CHEMBL3904131 144176 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 507 9 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCC3)no2)cc1C#N nan
89788837 144626 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 536 9 2 9 2.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCNCC3)no2)cc1C#N nan
CHEMBL3908034 144626 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 536 9 2 9 2.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCNCC3)no2)cc1C#N nan
58344780 144700 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 494 10 5 10 1.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC[C@@H](O)[C@H](O)[C@H](O)CO)no2)cc1C#N nan
CHEMBL3908601 144700 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 494 10 5 10 1.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC[C@@H](O)[C@H](O)[C@H](O)CO)no2)cc1C#N nan
58344853 144833 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 390 4 1 5 4.8 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F nan
CHEMBL3909636 144833 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 390 4 1 5 4.8 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F nan
58344562 144853 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 9 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN(C)C)no2)cc1C#N nan
CHEMBL3909764 144853 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 495 9 1 8 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN(C)C)no2)cc1C#N nan
52938802 144901 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 2 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(C)(C)CO)no2)cc1C#N nan
CHEMBL3910164 144901 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 2 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC(C)(C)CO)no2)cc1C#N nan
52939913 144962 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3910562 144962 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@H](O)C3)no2)cc1C#N nan
58344669 145003 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 7 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N nan
CHEMBL3910952 145003 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 471 7 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)CN3CCCC3)no2)cc1C#N nan
58344724 145257 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](N(C)C)C3)no2)cc1C#N nan
CHEMBL3912865 145257 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@H](N(C)C)C3)no2)cc1C#N nan
58344803 145359 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](N)C3)no2)cc1C#N nan
CHEMBL3913638 145359 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](N)C3)no2)cc1C#N nan
58344662 145541 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 7 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N nan
CHEMBL3915059 145541 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 7 0 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(C)CC(=O)N(C)C)no2)cc1C#N nan
52938423 145653 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3915866 145653 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CC[C@H](O)C3)no2)cc1C#N nan
52938052 145784 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 490 7 2 7 5.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3nc4ccccc4[nH]3)no2)cc1C#N nan
CHEMBL3916866 145784 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 490 7 2 7 5.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3nc4ccccc4[nH]3)no2)cc1C#N nan
58344743 145857 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 483 6 0 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)N4CCC4)C3)no2)cc1C#N nan
CHEMBL3917386 145857 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 483 6 0 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N3CC(C(=O)N4CCC4)C3)no2)cc1C#N nan
58344529 145907 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 8 0 7 4.5 CCN(CC(=O)N(C)C)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3917838 145907 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 8 0 7 4.5 CCN(CC(=O)N(C)C)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344800 145909 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 4 1 5 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F nan
CHEMBL3917848 145909 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 4 1 5 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1C(F)(F)F nan
52938422 146015 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3918619 146015 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CC[C@@H](O)C3)no2)cc1C#N nan
52939527 146472 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 6 1 7 4.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC3CCOCC3)no2)cc1C#N nan
CHEMBL3922297 146472 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 444 6 1 7 4.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC3CCOCC3)no2)cc1C#N nan
58344678 146646 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](N(C)C)C3)no2)cc1C#N nan
CHEMBL3923599 146646 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@H](N(C)C)C3)no2)cc1C#N nan
52939167 146680 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 424 7 1 6 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(F)F)no2)cc1C#N nan
CHEMBL3923850 146680 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 424 7 1 6 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(F)F)no2)cc1C#N nan
89787321 146682 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3923859 146682 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 481 9 2 8 3.2 CNCCS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344672 146762 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](N)C3)no2)cc1C#N nan
CHEMBL3924436 146762 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](N)C3)no2)cc1C#N nan
58344628 146979 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 501 6 2 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(CO)CC3)no2)cc1C#N nan
CHEMBL3926349 146979 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 501 6 2 7 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(CO)CC3)no2)cc1C#N nan
58344546 146981 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](N(C)C)C3)no2)cc1C#N nan
CHEMBL3926357 146981 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CC[C@@H](N(C)C)C3)no2)cc1C#N nan
58344581 147010 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 480 8 1 7 4.6 CC(C)CS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3926589 147010 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 480 8 1 7 4.6 CC(C)CS(=O)(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52938929 147047 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 485 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)no2)cc1C#N nan
CHEMBL3926935 147047 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 485 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CCCCC3)no2)cc1C#N nan
58344702 147075 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 2 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(C)(C)O)no2)cc1C#N nan
CHEMBL3927205 147075 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 7 2 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(C)(C)O)no2)cc1C#N nan
118054435 147361 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 367 5 1 7 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1[N+](=O)[O-] nan
CHEMBL3929478 147361 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 367 5 1 7 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4O)no2)cc1[N+](=O)[O-] nan
58344760 147418 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(C)C(=O)N(C)C)no2)cc1C#N nan
CHEMBL3929906 147418 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 7 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(C)C(=O)N(C)C)no2)cc1C#N nan
118054434 147730 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 367 5 1 7 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1[N+](=O)[O-] nan
CHEMBL3932230 147730 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 367 5 1 7 3.7 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4O)no2)cc1[N+](=O)[O-] nan
58344740 147742 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 543 7 1 8 5.0 COC(=O)CC1CCN(C(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
CHEMBL3932346 147742 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 543 7 1 8 5.0 COC(=O)CC1CCN(C(=O)N[C@@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)CC1 nan
58344511 148092 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 2 7 3.9 CC(C)COc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C#N nan
CHEMBL3935123 148092 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 2 7 3.9 CC(C)COc1ccc(-c2nc(-c3cccc4c3CCC4NCCO)no2)cc1C#N nan
58344693 148158 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 346 4 1 6 3.6 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N nan
CHEMBL3935588 148158 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 346 4 1 6 3.6 CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1C#N nan
52939785 148384 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 450 7 1 6 5.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3ccccc3)no2)cc1C#N nan
CHEMBL3937491 148384 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 450 7 1 6 5.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3ccccc3)no2)cc1C#N nan
58344496 148517 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 413 5 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1S(C)(=O)=O nan
CHEMBL3938436 148517 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 413 5 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1S(C)(=O)=O nan
58344897 148586 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3939061 148586 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC[C@H](O)C3)no2)cc1C#N nan
58344821 148792 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(O)CC3)no2)cc1C#N nan
CHEMBL3940768 148792 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(O)CC3)no2)cc1C#N nan
58344583 148820 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCNCC3)no2)cc1C#N nan
CHEMBL3941001 148820 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 472 5 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCNCC3)no2)cc1C#N nan
89788836 148871 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 551 9 2 9 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCC(O)CC3)no2)cc1C#N nan
CHEMBL3941503 148871 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 551 9 2 9 3.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCC(O)CC3)no2)cc1C#N nan
52938306 148900 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCOCC3)no2)cc1C#N nan
CHEMBL3941697 148900 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 0 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CCOCC3)no2)cc1C#N nan
58344535 149325 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 2 6 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1Br nan
CHEMBL3945024 149325 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 7 2 6 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1Br nan
89787392 149609 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@H](O)C3)no2)cc1C#N nan
CHEMBL3947083 149609 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 2 9 3.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CC[C@H](O)C3)no2)cc1C#N nan
58344538 149823 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3948795 149823 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 487 5 2 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC[C@@H](O)C3)no2)cc1C#N nan
58344576 150248 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 388 5 0 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)C)no2)cc1C#N nan
CHEMBL3952397 150248 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 388 5 0 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N(C)C)no2)cc1C#N nan
58344858 150585 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 7 1 7 3.9 CC(=O)N(CCO)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3955110 150585 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 446 7 1 7 3.9 CC(=O)N(CCO)[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
89787324 150832 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 7 1 7 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)c3ccccc3)no2)cc1C#N nan
CHEMBL3957013 150832 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 7 1 7 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)c3ccccc3)no2)cc1C#N nan
89788778 151342 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 1 9 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N nan
CHEMBL3961112 151342 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 1 9 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N nan
58344518 151375 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 514 8 1 7 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)Cc3ccccc3)no2)cc1C#N nan
CHEMBL3961448 151375 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 514 8 1 7 5.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)Cc3ccccc3)no2)cc1C#N nan
52939530 151420 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 8 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCC3)no2)cc1C#N nan
CHEMBL3961775 151420 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 457 8 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCC3)no2)cc1C#N nan
52938054 151466 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 454 7 2 7 4.9 Cc1cc(CN[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)[nH]n1 nan
CHEMBL3962124 151466 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 454 7 2 7 4.9 Cc1cc(CN[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)[nH]n1 nan
52939912 151567 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1C#N nan
CHEMBL3963265 151567 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 430 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@@H](O)C3)no2)cc1C#N nan
58344655 152219 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 514 6 1 7 4.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N nan
CHEMBL3968780 152219 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 514 6 1 7 4.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NC(=O)N3CCC(N(C)C)CC3)no2)cc1C#N nan
58344584 152308 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 9 1 7 4.5 CCN(CC)C(=O)CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3969600 152308 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 9 1 7 4.5 CCN(CC)C(=O)CN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52938178 152340 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](C)O)no2)cc1C#N nan
CHEMBL3969882 152340 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NC[C@@H](C)O)no2)cc1C#N nan
52939911 152344 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 454 7 2 7 4.9 Cc1c[nH]c(CN[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)n1 nan
CHEMBL3969945 152344 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 454 7 2 7 4.9 Cc1c[nH]c(CN[C@H]2CCc3c(-c4noc(-c5ccc(OC(C)C)c(C#N)c5)n4)cccc32)n1 nan
52939786 152449 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 440 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3cnc[nH]3)no2)cc1C#N nan
CHEMBL3970883 152449 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 440 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCc3cnc[nH]3)no2)cc1C#N nan
58344792 152494 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 7 2 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(CC(=O)O)CC3)no2)cc1C#N nan
CHEMBL3971247 152494 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 529 7 2 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CCC(CC(=O)O)CC3)no2)cc1C#N nan
52939783 152518 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 429 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@H](N)C3)no2)cc1C#N nan
CHEMBL3971447 152518 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 429 5 1 7 4.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4N3CC[C@H](N)C3)no2)cc1C#N nan
52939532 152522 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 4.8 CCOC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3971459 152522 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 4.8 CCOC(=O)N[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344795 152655 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 6 1 6 5.0 CC(C)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3972501 152655 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 402 6 1 6 5.0 CC(C)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344519 152696 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 535 9 1 8 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N nan
CHEMBL3972933 152696 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 535 9 1 8 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NS(=O)(=O)CCN3CCCCC3)no2)cc1C#N nan
52939653 152831 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 4.8 CCOC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3974011 152831 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 432 6 1 7 4.8 CCOC(=O)N[C@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
52939656 153256 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 10 1 7 5.0 CCN(CC)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3977589 153256 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 459 10 1 7 5.0 CCN(CC)CCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344750 153638 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 372 5 1 6 4.0 N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1OCC1CC1 nan
CHEMBL3980948 153638 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 372 5 1 6 4.0 N#Cc1cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)ccc1OCC1CC1 nan
89787309 153667 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 1 7 4.3 COCCN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3981224 153667 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 8 1 7 4.3 COCCN[C@@H]1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
58344755 153781 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 1 9 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N nan
CHEMBL3982183 153781 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 537 9 1 9 3.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CCOCC3)no2)cc1C#N nan
52939411 153782 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 8 1 8 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCOCC3)no2)cc1C#N nan
CHEMBL3982194 153782 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 473 8 1 8 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCOCC3)no2)cc1C#N nan
58344683 154152 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@@H](C)CO)no2)cc1C#N nan
CHEMBL3985481 154152 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 418 7 2 7 4.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4N[C@@H](C)CO)no2)cc1C#N nan
58344730 154222 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](N(C)C)C3)no2)cc1C#N nan
CHEMBL3986043 154222 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 500 6 1 7 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NC(=O)N3CC[C@@H](N(C)C)C3)no2)cc1C#N nan
52939531 154281 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 417 8 2 7 3.9 CNCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
CHEMBL3986508 154281 0 None - 1 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 417 8 2 7 3.9 CNCCNC1CCc2c(-c3noc(-c4ccc(OC(C)C)c(C#N)c4)n3)cccc21 nan
16657820 105533 0 None 147 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 10 3 8 3.7 Cc1cc(-c2noc(-c3sc(C)c(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121966 105533 0 None 147 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 10 3 8 3.7 Cc1cc(-c2noc(-c3sc(C)c(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
11852952 105555 0 None 776 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 10 3 6 3.9 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121989 105555 0 None 776 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 10 3 6 3.9 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
44199424 105770 0 None 251 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126617 105770 0 None 251 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(C)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
66829311 139807 0 None 288 3 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 13 3 9 3.6 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798837 139807 0 None 288 3 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 13 3 9 3.6 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
66829334 139903 0 None 39 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 14 3 9 3.6 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC 10.1016/j.ejmech.2016.03.048
CHEMBL3799441 139903 0 None 39 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 14 3 9 3.6 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1CC 10.1016/j.ejmech.2016.03.048
70696411 74981 0 None 3981 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 508 7 1 4 6.9 O=C(O)C1CCCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
CHEMBL2032438 74981 0 None 3981 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 508 7 1 4 6.9 O=C(O)C1CCCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
44138103 75781 0 None -2 4 Mouse 9.3 pEC50 = 9.3 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Mouse 9.3 pEC50 = 9.3 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
44565596 189544 0 None 9 4 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 422 11 4 5 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL514302 189544 0 None 9 4 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 422 11 4 5 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
11540052 180565 0 None 2 4 Human 9.3 pEC50 = 9.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL475405 180565 0 None 2 4 Human 9.3 pEC50 = 9.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
11697911 14217 0 None 97 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 441 12 4 5 3.4 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 10.1021/jm901776q
CHEMBL1089557 14217 0 None 97 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 441 12 4 5 3.4 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 10.1021/jm901776q
CHEMBL1199009 14217 0 None 97 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 441 12 4 5 3.4 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)c(F)c1 10.1021/jm901776q
46846904 139789 0 None 3548 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 466 7 1 7 4.7 CC(F)(F)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3798735 139789 0 None 3548 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 466 7 1 7 4.7 CC(F)(F)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
10883396 3647 45 None -1 15 Human 9.3 pEC50 = 9.3 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2006.10.014
5283560 3647 45 None -1 15 Human 9.3 pEC50 = 9.3 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2006.10.014
911 3647 45 None -1 15 Human 9.3 pEC50 = 9.3 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2006.10.014
CHEMBL225155 3647 45 None -1 15 Human 9.3 pEC50 = 9.3 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2006.10.014
44591265 179979 0 None 2 4 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 425 13 4 5 4.1 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2008.11.072
CHEMBL474689 179979 0 None 2 4 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 425 13 4 5 4.1 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2008.11.072
56835064 71493 0 None 14791 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 439 8 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935587 71493 0 None 14791 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 439 8 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1962536 71493 0 None 14791 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 439 8 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@@H](C)Cc3ccc(Cl)cc3)ccc21 10.1016/j.bmcl.2011.11.048
46846900 139593 0 None 1288 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 8 1 7 4.8 CC(C)Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3797415 139593 0 None 1288 2 Human 9.3 pEC50 = 9.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 8 1 7 4.8 CC(C)Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
67195504 157097 0 None 11748 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 436 9 1 5 4.4 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
CHEMBL4074505 157097 0 None 11748 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 436 9 1 5 4.4 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
11531879 158645 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 421 8 1 4 4.6 CCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4092538 158645 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 421 8 1 4 4.6 CCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
44155200 75784 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)ccc1OC(F)(F)F 10.1016/j.bmcl.2012.04.129
CHEMBL2048296 75784 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)ccc1OC(F)(F)F 10.1016/j.bmcl.2012.04.129
52914984 147556 0 None 5011 2 Human 9.2 pEC50 = 9.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3930827 147556 0 None 5011 2 Human 9.2 pEC50 = 9.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
11503250 78598 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 447 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL211228 78598 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 447 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
57399546 70695 0 None 1380 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950568 70695 0 None 1380 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@H](CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57400476 71656 0 None 36307 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 5.0 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935579 71656 0 None 36307 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 5.0 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963631 71656 0 None 36307 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 5.0 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC(C)c3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
57570463 87590 0 None 3162 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 510 10 2 4 6.9 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Cl)c1 10.1021/ml300396r
CHEMBL2336065 87590 0 None 3162 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 510 10 2 4 6.9 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(Cl)c1 10.1021/ml300396r
57570459 87609 0 None 2630 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 462 10 2 4 5.9 C/C(=N\OCc1ccc(C2CCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336085 87609 0 None 2630 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 462 10 2 4 5.9 C/C(=N\OCc1ccc(C2CCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
118877433 177338 0 None 14 3 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL4637401 177338 0 None 14 3 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
66636847 105536 0 None 407 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 10 3 8 3.1 Cc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121969 105536 0 None 407 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 10 3 8 3.1 Cc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
57437353 105561 0 None 234 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 515 12 3 6 4.4 CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121995 105561 0 None 234 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 515 12 3 6 4.4 CCc1cc(CCC(=O)c2sc(CC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
11853836 104715 0 None 1445 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 7 1 4 4.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O 10.1021/jm4014373
CHEMBL3105487 104715 0 None 1445 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 7 1 4 4.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(N)=O 10.1021/jm4014373
25074253 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126592 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
25074253 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3126592 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
42622931 139675 0 None 199 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 516 13 3 9 3.3 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
CHEMBL3797940 139675 0 None 199 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 516 13 3 9 3.3 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
25074253 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3126592 105746 15 None 575 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(N(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
49872065 139628 0 None 117 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797626 139628 0 None 117 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127047083 139990 0 None 346 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3799953 139990 0 None 346 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)c(C4CCCC4)cn3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
44156481 75786 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 442 6 1 7 5.0 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
CHEMBL2048298 75786 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 442 6 1 7 5.0 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
44413027 79767 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 419 8 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC3CC3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL211826 79767 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 419 8 1 6 4.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC3CC3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
46205128 8280 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 12 4 5 3.9 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1021/jm901776q
CHEMBL1092577 8280 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 12 4 5 3.9 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1021/jm901776q
66561414 74974 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 466 4 1 4 6.5 O=C(O)C1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032431 74974 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 466 4 1 4 6.5 O=C(O)C1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
58329611 116349 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359519 116349 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
46204808 8745 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 455 12 4 4 4.5 CCCCCc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1021/jm901776q
CHEMBL1096210 8745 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 455 12 4 4 4.5 CCCCCc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1021/jm901776q
57402280 71490 0 None 31622 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.7 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935580 71490 0 None 31622 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.7 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1962533 71490 0 None 31622 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.7 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
49872981 117965 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 462 7 2 5 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCNC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
CHEMBL3403634 117965 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 462 7 2 5 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCNC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
11222939 67573 9 None 4 4 Human 9.2 pEC50 = 9.2 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2006.10.014
44438254 67573 9 None 4 4 Human 9.2 pEC50 = 9.2 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2006.10.014
CHEMBL190006 67573 9 None 4 4 Human 9.2 pEC50 = 9.2 Functional
Activity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assayActivity at human recombinant S1P1 receptor expressed in CHO cells assessed as increase in calcium release by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2006.10.014
2924 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
44398069 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
9908268 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
CHEMBL114606 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
11697013 78261 0 None 1318 3 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL210695 78261 0 None 1318 3 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.084
11397995 87593 0 None 10232 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 504 11 2 4 6.8 CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CNCCC(=O)O 10.1021/ml300396r
CHEMBL2336068 87593 0 None 10232 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 504 11 2 4 6.8 CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CNCCC(=O)O 10.1021/ml300396r
11452022 3594 39 None -1 6 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
6996 3594 39 None -1 6 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
CHEMBL366208 3594 39 None -1 6 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
72793810 104689 0 None 28 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2nc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)no2)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
CHEMBL3105248 104689 0 None 28 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2nc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)no2)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
72793811 104690 0 None 93 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO 10.1021/jm4014373
CHEMBL3105249 104690 0 None 93 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO 10.1021/jm4014373
76325531 105755 0 None 1584 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 11 3 8 2.5 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
CHEMBL3126602 105755 0 None 1584 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 11 3 8 2.5 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
24784418 105779 0 None 446 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 11 3 8 3.4 CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126626 105779 0 None 446 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 11 3 8 3.4 CCc1cc(-c2noc(-c3ccc(CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
66829308 140091 0 None 169 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 14 3 9 3.7 CCCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
CHEMBL3800591 140091 0 None 169 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 14 3 9 3.7 CCCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
127046399 139641 0 None 1122 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797747 139641 0 None 1122 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)cc(C4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127046549 140058 0 None 199 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800402 140058 0 None 199 2 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cnc(OC4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
2924 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
44398069 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
9908268 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
CHEMBL114606 1638 43 None 2 7 Human 9.2 pEC50 = 9.2 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
11697013 78261 0 None 1318 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL210695 78261 0 None 1318 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
67172039 148988 0 None 3235 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
CHEMBL3942289 148988 0 None 3235 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
53235479 150560 0 None 1737 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F nan
CHEMBL3954922 150560 0 None 1737 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F nan
42630194 75775 0 None -3 5 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -3 5 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
44138103 75781 0 None -2 4 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
67170110 143762 0 None 7079 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 499 4 1 6 5.4 O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 nan
CHEMBL3900885 143762 0 None 7079 2 Human 9.1 pEC50 = 9.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 499 4 1 6 5.4 O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 nan
71664646 103919 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 545 14 3 3 7.5 Cc1ccc(CC(CCCSc2ccc(CNCCCP(=O)(O)O)cc2)c2cccc(Cl)c2)cc1C 10.1021/ml400360y
CHEMBL3092445 103919 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 545 14 3 3 7.5 Cc1ccc(CC(CCCSc2ccc(CNCCCP(=O)(O)O)cc2)c2cccc(Cl)c2)cc1C 10.1021/ml400360y
44413057 139249 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 419 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC3CCC3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL378970 139249 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 419 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC3CCC3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
54576503 76042 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 502 9 1 6 5.8 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2057285 76042 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 502 9 1 6 5.8 CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
54576721 76043 0 None 3162 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 474 9 1 6 5.1 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2057286 76043 0 None 3162 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 474 9 1 6 5.1 CCc1c(CCN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
70685939 74980 0 None 630 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 508 7 1 4 6.9 O=C(O)C1CCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032437 74980 0 None 630 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 508 7 1 4 6.9 O=C(O)C1CCN(CCCc2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
10904818 303 0 None 1 4 Human 9.1 pEC50 = 9.1 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 10.1016/j.bmcl.2005.09.038
2937 303 0 None 1 4 Human 9.1 pEC50 = 9.1 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 10.1016/j.bmcl.2005.09.038
CHEMBL382739 303 0 None 1 4 Human 9.1 pEC50 = 9.1 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 10.1016/j.bmcl.2005.09.038
10288527 85027 0 None 10 4 Human 9.1 pEC50 = 9.1 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 461 7 1 4 5.8 Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224005 85027 0 None 10 4 Human 9.1 pEC50 = 9.1 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 461 7 1 4 5.8 Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
11568129 104401 0 None 776 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 428 8 2 5 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
CHEMBL3102993 104401 0 None 776 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 428 8 2 5 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
76336362 105767 0 None 1071 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126614 105767 0 None 1071 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
44439852 93844 0 None 47 2 Human 9.1 pEC50 = 9.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL247766 93844 0 None 47 2 Human 9.1 pEC50 = 9.1 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
46204811 8746 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 423 12 4 5 3.3 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1021/jm901776q
CHEMBL1096211 8746 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 423 12 4 5 3.3 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1021/jm901776q
44548012 68346 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 465 6 1 5 5.5 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(C5CCCC5)c(Cl)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916564 68346 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 465 6 1 5 5.5 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(C5CCCC5)c(Cl)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
168268720 192761 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5170826 192761 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5221180 192761 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
11315809 71655 0 None 3801 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935576 71655 0 None 3801 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963630 71655 0 None 3801 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
46206103 8027 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 11 4 5 4.5 NC(CO)(CCc1ccc(-c2ccc(SCc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1090819 8027 0 None - 1 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 11 4 5 4.5 NC(CO)(CCc1ccc(-c2ccc(SCc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
46881847 7056 0 None 2 4 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 373 13 3 4 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1084929 7056 0 None 2 4 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 373 13 3 4 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
57395264 71658 0 None 12882 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935583 71658 0 None 12882 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963633 71658 0 None 12882 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 423 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](C)Cc3ccc(F)cc3)ccc21 10.1016/j.bmcl.2011.11.048
58390859 84127 0 None 338 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 484 9 1 6 4.8 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207791 84127 0 None 338 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 484 9 1 6 4.8 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
11611053 77941 0 None 524 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 401 7 1 5 4.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C(F)(F)C(C)C)cn2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL209567 77941 0 None 524 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 401 7 1 5 4.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(C(F)(F)C(C)C)cn2)n1 10.1016/j.bmcl.2006.04.084
78321974 140312 0 None 21 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL3806205 140312 0 None 21 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assayAgonist activity at human recombinant S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
66636757 105538 0 None 1288 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 445 10 3 8 2.9 CCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
CHEMBL3121971 105538 0 None 1288 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 445 10 3 8 2.9 CCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
76318058 105551 0 None 194 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 10 3 8 3.6 CCc1cc(-c2noc(-c3sc(CC)c4c3CCCC4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121985 105551 0 None 194 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 10 3 8 3.6 CCc1cc(-c2noc(-c3sc(CC)c4c3CCCC4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11854857 104711 0 None 616 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 10 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(=O)CO 10.1021/jm4014373
CHEMBL3105483 104711 0 None 616 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 10 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(=O)CO 10.1021/jm4014373
76329073 105749 0 None 288 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126596 105749 0 None 288 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 494 10 3 8 3.5 CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76310994 105774 0 None 2951 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cnc(C(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126621 105774 0 None 2951 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 496 12 3 8 3.7 CCc1cc(-c2noc(-c3cnc(C(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
66829256 140010 0 None 741 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 11 3 9 2.6 CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800086 140010 0 None 741 2 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 11 3 9 2.6 CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
78321974 140312 0 None 21 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL3806205 140312 0 None 21 3 Human 9.1 pEC50 = 9.1 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
78321974 140312 0 None 21 3 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
CHEMBL3806205 140312 0 None 21 3 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor by GTPgammaS binding assayAgonist activity at human S1P1 receptor by GTPgammaS binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
11632823 138369 0 None 234 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL377181 138369 0 None 234 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
44439851 145645 0 None 37 3 Human 9.0 pEC50 = 9.0 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
CHEMBL391581 145645 0 None 37 3 Human 9.0 pEC50 = 9.0 Functional
Displacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cellsDisplacement of [35S]GTPgammaS from human S1P1 receptor expressed in CHO cells
ChEMBL 403 6 1 6 4.6 Cc1cc([C@@H]2C[C@H]2C(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.10.057
11603528 140056 0 None 154 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 7 3.3 Cc1cc(CCC(=O)O)ccc1-n1nnc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL380040 140056 0 None 154 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 7 3.3 Cc1cc(CCC(=O)O)ccc1-n1nnc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
46846820 140050 0 None 4168 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3800349 140050 0 None 4168 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
46846912 139801 0 None 128 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 478 7 1 7 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4-c4ccccc4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3798784 139801 0 None 128 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 478 7 1 7 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4-c4ccccc4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
53373573 76037 1 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)nc1 10.1021/jm2016107
CHEMBL2057232 76037 1 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)nc1 10.1021/jm2016107
45377248 84126 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 450 9 1 6 4.2 CCCCN(C(=O)c1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207790 84126 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 450 9 1 6 4.2 CCCCN(C(=O)c1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
70692257 74976 0 None 1995 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 5 1 4 6.4 O=C(O)CN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032433 74976 0 None 1995 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 5 1 4 6.4 O=C(O)CN1CCC(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
11977818 70899 0 None 891 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)s2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951154 70899 0 None 891 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)s2)C1 10.1016/j.bmcl.2011.12.019
134319702 166563 0 None 190 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 496 11 3 7 4.2 CCCCOCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4279752 166563 0 None 190 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 496 11 3 7 4.2 CCCCOCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
11496105 157994 0 None 9332 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.2 COc1cc(CC(C)C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
CHEMBL4085321 157994 0 None 9332 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.2 COc1cc(CC(C)C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
11502996 158725 42 None -5 3 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4093489 158725 42 None -5 3 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
57403429 68308 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 443 3 0 5 5.3 COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
CHEMBL1916409 68308 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 443 3 0 5 5.3 COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
44547861 68352 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 477 7 1 7 4.1 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1OC(F)(F)F 10.1016/j.bmcl.2011.05.110
CHEMBL1916570 68352 0 None - 1 Human 9.0 pEC50 = 9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 477 7 1 7 4.1 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1OC(F)(F)F 10.1016/j.bmcl.2011.05.110
72793828 104691 0 None 109 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 439 6 2 6 5.0 Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO 10.1021/jm4014373
CHEMBL3105250 104691 0 None 109 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 439 6 2 6 5.0 Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO 10.1021/jm4014373
76332741 105740 0 None 147 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 10 3 8 3.9 CCc1cc(-c2noc(-c3cc(C)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126586 105740 0 None 147 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 508 10 3 8 3.9 CCc1cc(-c2noc(-c3cc(C)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
68763522 105786 0 None 316 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126633 105786 0 None 316 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
127046325 139623 0 None 208 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.5 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(CC)CC 10.1016/j.ejmech.2016.03.048
CHEMBL3797596 139623 0 None 208 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.5 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(CC)CC 10.1016/j.ejmech.2016.03.048
44218450 139947 0 None 100 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)CC 10.1016/j.ejmech.2016.03.048
CHEMBL3799718 139947 0 None 100 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)CC 10.1016/j.ejmech.2016.03.048
127046741 140000 0 None 190 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(C)nc(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800019 140000 0 None 190 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(C)nc(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127046567 140001 0 None 933 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(C)cc(OC4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800028 140001 0 None 933 2 Human 9.0 pEC50 = 9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(C)cc(OC4CCCC4)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
44517795 68299 0 None 1 5 Rat 9.0 pEC50 = 9 Functional
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916399 68299 0 None 1 5 Rat 9.0 pEC50 = 9 Functional
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
44406004 72713 10 None -5 4 Human 9.0 pEC50 = 9 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 337 14 4 4 2.9 CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
CHEMBL199791 72713 10 None -5 4 Human 9.0 pEC50 = 9 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 337 14 4 4 2.9 CCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
11678855 134441 0 None 1 3 Human 9.0 pEC50 = 9 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 607 21 4 10 5.9 C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
CHEMBL371758 134441 0 None 1 3 Human 9.0 pEC50 = 9 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 607 21 4 10 5.9 C[C@@](N)(CCc1ccc(OCCCCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
42630194 75775 0 None -3 5 Human 9.0 pEC50 = 9.0 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -3 5 Human 9.0 pEC50 = 9.0 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
44412621 78396 0 None 416 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1016/j.bmcl.2006.04.064
CHEMBL211081 78396 0 None 416 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1016/j.bmcl.2006.04.064
44412993 170394 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 429 8 1 6 4.7 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL444799 170394 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 429 8 1 6 4.7 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
58390929 84128 0 None 870 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 498 9 1 6 5.1 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2C)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207792 84128 0 None 870 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 498 9 1 6 5.1 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2C)s1 10.1016/j.bmcl.2012.09.110
11682696 79943 0 None 245 3 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 396 8 1 6 4.5 COc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C 10.1016/j.bmcl.2006.04.084
CHEMBL212580 79943 0 None 245 3 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 396 8 1 6 4.5 COc1cc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)ccc1OC(C)C 10.1016/j.bmcl.2006.04.084
58329587 116351 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 459 8 1 4 6.0 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(OCC4CC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3359521 116351 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 459 8 1 4 6.0 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(OCC4CC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
44565714 179295 0 None 5 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 484 11 4 5 4.1 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473238 179295 0 None 5 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 484 11 4 5 4.1 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
44591250 189752 0 None 8 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F 10.1016/j.bmcl.2008.11.072
CHEMBL515921 189752 0 None 8 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F 10.1016/j.bmcl.2008.11.072
70681384 74159 0 None 363 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 484 10 1 6 6.4 CCCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
CHEMBL2022905 74159 0 None 363 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 484 10 1 6 6.4 CCCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
57402284 71491 0 None 26915 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 437 9 1 3 5.2 CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 10.1016/j.bmcl.2011.11.048
CHEMBL1935585 71491 0 None 26915 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 437 9 1 3 5.2 CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 10.1016/j.bmcl.2011.11.048
CHEMBL1962534 71491 0 None 26915 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 437 9 1 3 5.2 CC[C@H](COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C)Cc1ccc(F)cc1 10.1016/j.bmcl.2011.11.048
11676168 70948 12 None 1 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1016/j.ejmech.2012.02.022
CHEMBL1951588 70948 12 None 1 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1016/j.ejmech.2012.02.022
11676168 70948 12 None 1 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1021/ml100301k
CHEMBL1951588 70948 12 None 1 4 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1021/ml100301k
57396486 68351 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 446 7 1 7 3.8 CC(C)Oc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1C#N 10.1016/j.bmcl.2011.05.110
CHEMBL1916569 68351 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 446 7 1 7 3.8 CC(C)Oc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1C#N 10.1016/j.bmcl.2011.05.110
46205775 8227 0 None 3 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 475 11 4 5 3.8 NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1092272 8227 0 None 3 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 475 11 4 5 3.8 NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
46885873 8721 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 363 11 4 4 2.3 CCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c1 10.1021/jm901776q
CHEMBL1095889 8721 0 None - 1 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 363 11 4 4 2.3 CCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c1 10.1021/jm901776q
76314473 105545 0 None 741 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 442 9 2 5 4.7 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CC2)CC1 10.1021/jm401456d
CHEMBL3121979 105545 0 None 741 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 442 9 2 5 4.7 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CC1(CC2)CC1 10.1021/jm401456d
76310852 105553 0 None 21 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 525 10 3 8 4.0 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121987 105553 0 None 21 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 525 10 3 8 4.0 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11853580 104393 0 None 181 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 11 2 5 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCC(=O)O 10.1021/jm4014373
CHEMBL3102985 104393 0 None 181 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 469 11 2 5 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCC(=O)O 10.1021/jm4014373
11597340 104396 0 None 3890 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 438 7 1 4 5.8 Cc1sc(C(=O)CCc2cc(Cl)c(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3102988 104396 0 None 3890 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 438 7 1 4 5.8 Cc1sc(C(=O)CCc2cc(Cl)c(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
11852237 104688 0 None 37 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
CHEMBL3105247 104688 0 None 37 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 6 2 7 4.4 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OC[C@@H](O)CO 10.1021/jm4014373
44218130 139888 0 None 1 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 552 14 3 8 4.3 CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799355 139888 0 None 1 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 552 14 3 8 4.3 CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)cc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44217502 139976 0 None 7 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 538 14 3 8 3.8 CCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
CHEMBL3799888 139976 0 None 7 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 538 14 3 8 3.8 CCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
127046400 139608 0 None 162 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(C(CC)CC)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797486 139608 0 None 162 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(C(CC)CC)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127046743 139822 0 None 45 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 524 12 3 9 3.4 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCCC2)n1 10.1016/j.ejmech.2016.03.020
CHEMBL3798969 139822 0 None 45 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 524 12 3 9 3.4 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCCC2)n1 10.1016/j.ejmech.2016.03.020
127046742 139925 0 None 50 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 12 3 9 3.0 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCC2)n1 10.1016/j.ejmech.2016.03.020
CHEMBL3799580 139925 0 None 50 2 Human 9.0 pEC50 = 9.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 12 3 9 3.0 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCC2)n1 10.1016/j.ejmech.2016.03.020
44517795 68299 0 None -1 5 Mouse 9.0 pEC50 = 9.0 Functional
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916399 68299 0 None -1 5 Mouse 9.0 pEC50 = 9.0 Functional
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
2924 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm050242f
44398069 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm050242f
9908268 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm050242f
CHEMBL114606 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm050242f
49872791 117951 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 487 6 2 3 6.7 CC1(CC(=O)O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403620 117951 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 487 6 2 3 6.7 CC1(CC(=O)O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
11568622 158199 0 None 1 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 450 9 1 5 4.7 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
CHEMBL4087932 158199 0 None 1 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 450 9 1 5 4.7 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)n1 10.1021/acs.jmedchem.7b00785
11619303 158948 0 None 3 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4095920 158948 0 None 3 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2ccc3c(c2C)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
44517795 68299 0 None -6 5 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916399 68299 0 None -6 5 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
57394721 68340 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 470 5 2 5 5.3 O=C(O)CCc1nc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2[nH]1 10.1016/j.bmcl.2011.05.110
CHEMBL1916558 68340 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 470 5 2 5 5.3 O=C(O)CCc1nc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2[nH]1 10.1016/j.bmcl.2011.05.110
46205132 7830 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 459 12 4 5 3.5 CCCCOc1cc(F)c(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1F 10.1021/jm901776q
CHEMBL1089558 7830 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 459 12 4 5 3.5 CCCCOc1cc(F)c(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1F 10.1021/jm901776q
11854607 104712 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 10 3 6 3.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3105484 104712 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 10 3 6 3.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
11852233 105556 0 None 467 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 12 3 6 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCC(=O)O 10.1021/jm401456d
CHEMBL3121990 105556 0 None 467 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 12 3 6 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCC(=O)O 10.1021/jm401456d
11852953 105560 0 None 3630 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 11 3 6 4.1 CCc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121994 105560 0 None 3630 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 11 3 6 4.1 CCc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
44218479 139999 0 None 436 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(OC)cc(C(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800001 139999 0 None 436 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 512 13 3 9 3.4 CCc1cc(-c2noc(-c3cc(OC)cc(C(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
53235405 145092 0 None 6760 2 Human 8.9 pEC50 = 8.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3911661 145092 0 None 6760 2 Human 8.9 pEC50 = 8.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
49848656 76396 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
CHEMBL2059516 76396 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
49848776 76398 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nc(-c2ccc(OC(C)C)c(C#N)c2)ns1 10.1021/jm2016107
CHEMBL2059518 76398 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nc(-c2ccc(OC(C)C)c(C#N)c2)ns1 10.1021/jm2016107
70690603 76431 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 433 9 1 5 5.9 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2059671 76431 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 433 9 1 5 5.9 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
70694326 74975 0 None 1000 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 5 1 4 6.9 O=C(O)CC1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
CHEMBL2032432 74975 0 None 1000 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 480 5 1 4 6.9 O=C(O)CC1CCN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)CC1 10.1016/j.bmcl.2012.04.095
49842175 65955 0 None 19952 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 489 8 2 8 3.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CC(=O)N[C@@H](C)CO)C2 10.1021/jm200609t
CHEMBL1836171 65955 0 None 19952 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 489 8 2 8 3.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CC(=O)N[C@@H](C)CO)C2 10.1021/jm200609t
57404344 73174 0 None 398 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 556 11 2 7 4.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(S(=O)(=O)NCCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011736 73174 0 None 398 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 556 11 2 7 4.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(S(=O)(=O)NCCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.02.016
70693636 73177 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 444 6 1 4 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]ccc23)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011739 73177 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 444 6 1 4 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]ccc23)s1 10.1016/j.bmcl.2012.02.016
11408903 85124 0 None 5 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 475 7 1 4 6.1 Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224853 85124 0 None 5 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 475 7 1 4 6.1 Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
11248292 143504 0 None 21 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 465 7 1 4 5.7 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 10.1021/jm0492507
CHEMBL389880 143504 0 None 21 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 465 7 1 4 5.7 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 10.1021/jm0492507
2924 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmc.2006.10.060
44398069 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmc.2006.10.060
9908268 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmc.2006.10.060
CHEMBL114606 1638 43 None 2 7 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmc.2006.10.060
58390878 84116 0 None 380 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 482 9 1 6 4.7 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207779 84116 0 None 380 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 482 9 1 6 4.7 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
70683478 74160 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 484 9 1 6 6.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(C(C)C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022906 74160 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 484 9 1 6 6.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(C(C)C)c2)s1 10.1016/j.bmcl.2012.03.067
127045708 140078 0 None 3981 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 7 1 7 4.7 CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3800513 140078 0 None 3981 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 444 7 1 7 4.7 CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
44548170 68347 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 513 6 1 6 5.9 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(-c5cccs5)c(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916565 68347 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 513 6 1 6 5.9 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(-c5cccs5)c(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
11647892 8116 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 441 12 4 5 3.4 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1F 10.1021/jm901776q
CHEMBL1091630 8116 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 441 12 4 5 3.4 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1F 10.1021/jm901776q
76336214 105562 0 None 19 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 529 13 3 6 4.8 CCCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 10.1021/jm401456d
CHEMBL3121996 105562 0 None 19 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 529 13 3 6 4.8 CCCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c2)c2c1CC(C)(C)CC2 10.1021/jm401456d
57437389 105563 0 None 186 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 555 11 3 6 4.8 CCc1cc(CCC(=O)c2sc(C(F)(F)F)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121997 105563 0 None 186 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 555 11 3 6 4.8 CCc1cc(CCC(=O)c2sc(C(F)(F)F)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
76321773 105564 0 None 3019 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 517 12 3 7 3.8 CCc1cc(CCC(=O)c2sc(OC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121998 105564 0 None 3019 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 517 12 3 7 3.8 CCc1cc(CCC(=O)c2sc(OC)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
72793822 104706 0 None 15 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 8 3 8 3.5 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014373
CHEMBL3105478 104706 0 None 15 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 8 3 8 3.5 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014373
11854607 104712 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 10 3 6 3.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014373
CHEMBL3105484 104712 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 10 3 6 3.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014373
76325530 105750 0 None 331 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)cc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126597 105750 0 None 331 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)cc(N(CC)CC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
44217839 105771 0 None 107 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(CC(C)C)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126618 105771 0 None 107 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cc(CC(C)C)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
66829279 139592 0 None 117 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 12 3 9 2.9 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797412 139592 0 None 117 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 12 3 9 2.9 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44218131 139984 0 None 371 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)C 10.1016/j.ejmech.2016.03.048
CHEMBL3799916 139984 0 None 371 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN(C)C 10.1016/j.ejmech.2016.03.048
44547414 68341 0 None 1 6 Rat 8.9 pEC50 = 8.9 Functional
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916559 68341 0 None 1 6 Rat 8.9 pEC50 = 8.9 Functional
Agonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at rat S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
53235407 149492 0 None 1000 2 Human 8.9 pEC50 = 8.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3946363 149492 0 None 1000 2 Human 8.9 pEC50 = 8.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
168268720 192761 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5170826 192761 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5221180 192761 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 460 7 1 6 4.3 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
10217498 85084 0 None 8 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 481 7 1 4 6.2 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
CHEMBL224571 85084 0 None 8 4 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 481 7 1 4 6.2 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
11271470 137582 0 None 4 3 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 475 8 1 4 6.1 CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL375488 137582 0 None 4 3 Human 8.9 pEC50 = 8.9 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 475 8 1 4 6.1 CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
42630194 75775 0 None 2 5 Rat 8.9 pEC50 = 8.9 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None 2 5 Rat 8.9 pEC50 = 8.9 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
118729921 117952 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403621 117952 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
67197502 156862 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 407 7 1 4 4.3 COc1cc(C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
CHEMBL4071753 156862 0 None - 1 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 407 7 1 4 4.3 COc1cc(C)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
44625753 87586 0 None 1862 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 477 10 2 5 5.7 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cn1 10.1021/ml300396r
CHEMBL2336061 87586 0 None 1862 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 477 10 2 5 5.7 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cn1 10.1021/ml300396r
72793822 104706 0 None 15 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 8 3 8 3.5 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3105478 104706 0 None 15 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 8 3 8 3.5 Cc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
76336211 105528 0 None 4 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 11 2 7 5.9 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCNCCC(=O)O 10.1021/jm401456d
CHEMBL3121961 105528 0 None 4 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 11 2 7 5.9 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCNCCC(=O)O 10.1021/jm401456d
11690483 104429 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 428 8 2 5 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CO 10.1021/jm4014373
CHEMBL3103656 104429 0 None 346 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 428 8 2 5 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OC[C@H](O)CO 10.1021/jm4014373
67414717 104431 0 None 288 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 397 7 1 4 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN 10.1021/jm4014373
CHEMBL3103658 104431 0 None 288 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 397 7 1 4 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN 10.1021/jm4014373
127047084 139782 0 None 645 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3798690 139782 0 None 645 2 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3ccc(C4CCCC4)c(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
44547414 68341 0 None -1 6 Mouse 8.9 pEC50 = 8.9 Functional
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916559 68341 0 None -1 6 Mouse 8.9 pEC50 = 8.9 Functional
Agonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at mouse S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
46885796 8409 0 None 5 4 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1093429 8409 0 None 5 4 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2010.02.098
67249162 116350 0 None 912 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359520 116350 0 None 912 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
44547863 68350 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 459 8 1 7 3.8 COc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1OC(F)F 10.1016/j.bmcl.2011.05.110
CHEMBL1916568 68350 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 459 8 1 7 3.8 COc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1OC(F)F 10.1016/j.bmcl.2011.05.110
23729229 105534 0 None 346 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 10 3 8 3.4 Cc1cc(-c2noc(-c3scc(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121967 105534 0 None 346 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 10 3 8 3.4 Cc1cc(-c2noc(-c3scc(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
23729211 105535 0 None 154 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 10 3 8 3.4 Cc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121968 105535 0 None 154 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 10 3 8 3.4 Cc1cc(-c2noc(-c3cc(CC(C)C)c(C)s3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
11852955 105567 0 None 81 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 513 9 3 8 4.0 CCc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3122000 105567 0 None 81 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 513 9 3 8 4.0 CCc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
11853834 104709 0 None 398 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 11 3 6 4.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCC(=O)O 10.1021/jm4014373
CHEMBL3105481 104709 0 None 398 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 485 11 3 6 4.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCC(=O)O 10.1021/jm4014373
44217997 139582 0 None 933 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 498 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(OC)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797365 139582 0 None 933 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 498 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(OC)cc(CC(C)C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
127046550 139861 0 None 11 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3799227 139861 0 None 11 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cnc(OC)c(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
11977938 70908 30 None 2 4 Rat 8.8 pEC50 = 8.8 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.ejmech.2012.02.022
CHEMBL1951304 70908 30 None 2 4 Rat 8.8 pEC50 = 8.8 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.ejmech.2012.02.022
70688528 76405 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 427 9 1 3 6.6 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cc1 10.1021/jm2016107
CHEMBL2059527 76405 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 427 9 1 3 6.6 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cc1 10.1021/jm2016107
44547606 73673 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 406 7 2 6 4.4 Cc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 10.1016/j.bmcl.2012.02.083
CHEMBL2018307 73673 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 406 7 2 6 4.4 Cc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 10.1016/j.bmcl.2012.02.083
70681009 73046 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 550 9 1 6 6.8 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2c(Cl)cn3CCC(=O)O)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2010813 73046 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 550 9 1 6 6.8 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2c(Cl)cn3CCC(=O)O)s1 10.1016/j.bmcl.2012.02.016
44412578 78130 0 None 26 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 7 3.3 Cc1cc(CCC(=O)O)ccc1-c1nnn(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL210345 78130 0 None 26 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 391 7 1 7 3.3 Cc1cc(CCC(=O)O)ccc1-c1nnn(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1016/j.bmcl.2006.04.064
45376040 84121 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 466 8 1 6 3.9 O=C(O)C1CN(Cc2ccc(-c3nnc(N(CC4CC4)C(=O)c4ccccc4F)s3)cc2)C1 10.1016/j.bmcl.2012.09.110
CHEMBL2207784 84121 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 466 8 1 6 3.9 O=C(O)C1CN(Cc2ccc(-c3nnc(N(CC4CC4)C(=O)c4ccccc4F)s3)cc2)C1 10.1016/j.bmcl.2012.09.110
25182773 7624 0 None 53 3 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 443 7 2 6 3.2 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1088177 7624 0 None 53 3 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 443 7 2 6 3.2 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46846901 140092 0 None 7585 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 430 7 1 7 4.1 CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3800595 140092 0 None 7585 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 430 7 1 7 4.1 CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
46205774 7915 0 None 8 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 11 4 5 4.3 NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1090223 7915 0 None 8 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 11 4 5 4.3 NC(CO)(CCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl)COP(=O)(O)O 10.1021/jm901776q
57570476 87595 0 None 1995 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 502 8 1 4 6.5 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)c(C)c1 10.1021/ml300396r
CHEMBL2336070 87595 0 None 1995 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 502 8 1 4 6.5 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CN2CC(C(=O)O)C2)c(C)c1 10.1021/ml300396r
76336212 105531 0 None 9 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 8 3 8 3.8 Cc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121964 105531 0 None 9 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 8 3 8 3.8 Cc1cc(-c2noc(-c3sc(C)c4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
57508868 105547 0 None 380 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 2 5 4.6 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1CC(C)CC2 10.1021/jm401456d
CHEMBL3121981 105547 0 None 380 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 2 5 4.6 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1CC(C)CC2 10.1021/jm401456d
25008420 8462 0 None 7 4 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 547 9 4 5 5.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL1093823 8462 0 None 7 4 Human 8.8 pEC50 = 8.8 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 547 9 4 5 5.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
44547560 68345 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 514 5 2 6 4.1 N[C@@H](CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21)C(=O)O 10.1016/j.bmcl.2011.05.110
CHEMBL1916563 68345 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 514 5 2 6 4.1 N[C@@H](CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21)C(=O)O 10.1016/j.bmcl.2011.05.110
2924 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
44398069 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
9908268 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
CHEMBL114606 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.1c01979
44624002 116272 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 430 6 2 4 5.0 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)ccc1OC(F)(F)F 10.1021/ml500389m
CHEMBL3358906 116272 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 430 6 2 4 5.0 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)ccc1OC(F)(F)F 10.1021/ml500389m
49872977 117959 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 420 7 1 6 4.4 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3403628 117959 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 420 7 1 6 4.4 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
49873197 117966 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 493 6 1 6 5.1 CN1CCn2c(c(Cl)c3cc(OCc4cc(C#N)cc(OC(F)(F)F)c4)ccc32)C1CC(=O)O 10.1016/j.bmcl.2014.11.089
CHEMBL3403635 117966 0 None - 1 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 493 6 1 6 5.1 CN1CCn2c(c(Cl)c3cc(OCc4cc(C#N)cc(OC(F)(F)F)c4)ccc32)C1CC(=O)O 10.1016/j.bmcl.2014.11.089
58537193 139871 0 None 5370 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 416 6 1 7 3.9 Cc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1021/acs.jmedchem.6b00089
CHEMBL3799276 139871 0 None 5370 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 416 6 1 7 3.9 Cc1c(-c2ccccc2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1021/acs.jmedchem.6b00089
23121189 158684 0 None 3235 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 417 7 1 3 4.9 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC3CCc4ccccc43)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4093077 158684 0 None 3235 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 417 7 1 3 4.9 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC3CCc4ccccc43)ccc21 10.1021/acs.jmedchem.7b00785
11852848 105565 0 None 186 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 9 3 8 3.7 CCc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121999 105565 0 None 186 2 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 499 9 3 8 3.7 CCc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
67168742 144759 0 None 3235 2 Human 8.8 pEC50 = 8.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 520 5 2 7 5.0 N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 nan
CHEMBL3909064 144759 0 None 3235 2 Human 8.8 pEC50 = 8.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 520 5 2 7 5.0 N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 nan
42630194 75775 0 None -3 5 Human 8.8 pEC50 = 8.8 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -3 5 Human 8.8 pEC50 = 8.8 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
46884020 8438 0 None 8 4 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1093686 8438 0 None 8 4 Human 8.8 pEC50 = 8.8 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
42630194 75775 0 None 2 5 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None 2 5 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
46886019 8231 0 None 45 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 10 4 5 4.2 Cc1ccc(Oc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1021/jm901776q
CHEMBL1092284 8231 0 None 45 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 10 4 5 4.2 Cc1ccc(Oc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1021/jm901776q
76314472 105541 0 None 45 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 529 10 3 9 3.7 CCc1cc(-c2noc(-c3sc(OC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121975 105541 0 None 45 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 529 10 3 9 3.7 CCc1cc(-c2noc(-c3sc(OC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11553524 104397 0 None 741 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 418 7 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(Cl)c1OCCO 10.1021/jm4014373
CHEMBL3102989 104397 0 None 741 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 418 7 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(Cl)c1OCCO 10.1021/jm4014373
76329075 105757 0 None 380 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 12 3 8 2.9 CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
CHEMBL3126604 105757 0 None 380 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 12 3 8 2.9 CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
11676168 70948 12 None -1 4 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1016/j.ejmech.2012.02.022
CHEMBL1951588 70948 12 None -1 4 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1016/j.ejmech.2012.02.022
11676168 70948 12 None -1 4 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1021/ml100301k
CHEMBL1951588 70948 12 None -1 4 Rat 8.7 pEC50 = 8.7 Functional
Agonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assayAgonist activity at rat S1P1 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay
ChEMBL 422 11 3 5 3.3 Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(=O)(O)O)n2C)cc1 10.1021/ml100301k
168277311 192839 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5174924 192839 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5221692 192839 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
168273693 192804 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5177759 192804 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221447 192804 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
11640578 78068 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 431 6 1 6 5.8 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(-c3cccs3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL210038 78068 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 431 6 1 6 5.8 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(-c3cccs3)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
11501873 140145 0 None 275 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 384 7 1 5 4.7 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(F)c2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL380253 140145 0 None 275 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 384 7 1 5 4.7 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)c(F)c2)n1 10.1016/j.bmcl.2006.04.084
25072410 105747 0 None 162 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 3 9 2.4 CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126593 105747 0 None 162 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 3 9 2.4 CCc1cc(-c2noc(-c3cc(C)nc(N4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
24851766 105787 0 None 269 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126634 105787 0 None 269 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3cnc(CC(C)C)c(C)c3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO 10.1021/jm4014696
25192001 8057 0 None 2 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1091103 8057 0 None 2 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
70690602 76430 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 478 9 1 5 6.6 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059670 76430 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 478 9 1 5 6.6 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
70684293 76434 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 503 8 1 5 6.9 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059675 76434 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 503 8 1 5 6.9 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
44128745 116415 0 None 3981 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360363 116415 0 None 3981 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 3.8 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1C#N 10.1021/jm5010336
57522810 76440 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 493 9 1 6 5.8 CCc1c(CN(C)CC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059681 76440 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 493 9 1 6 5.8 CCc1c(CN(C)CC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
70692237 74965 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 470 8 1 4 7.2 O=C(O)CCCCCc1cnc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032313 74965 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 470 8 1 4 7.2 O=C(O)CCCCCc1cnc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
70681689 74982 0 None 199 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 438 4 1 4 5.7 O=C(O)C1CN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
CHEMBL2032439 74982 0 None 199 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 438 4 1 4 5.7 O=C(O)C1CN(c2ccc3oc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)nc3c2)C1 10.1016/j.bmcl.2012.04.095
70687728 74156 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 442 8 1 6 5.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)cc2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022902 74156 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 442 8 1 6 5.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)cc2)s1 10.1016/j.bmcl.2012.03.067
134319263 166743 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 478 10 3 5 5.5 CCCCCCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4283426 166743 0 None - 1 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 478 10 3 5 5.5 CCCCCCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
23121172 63433 0 None 301 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.6 C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
CHEMBL1797506 63433 0 None 301 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.6 C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
42636536 116397 0 None 2511 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 471 8 2 7 5.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359853 116397 0 None 2511 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 471 8 2 7 5.1 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
46236399 8559 0 None 1 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 378 3 1 4 5.1 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1 10.1021/jm100181s
CHEMBL1094503 8559 0 None 1 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 378 3 1 4 5.1 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1 10.1021/jm100181s
66931911 139598 0 None 56 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCc1cc(-c2noc(-c3ccc(CN(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797436 139598 0 None 56 2 Human 8.0 pEC50 = 8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCc1cc(-c2noc(-c3ccc(CN(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44565739 178958 0 None -1 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 459 12 4 5 4.2 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL470511 178958 0 None -1 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 459 12 4 5 4.2 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
44547415 68362 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 418 6 1 7 3.0 COc1cc(C#N)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916580 68362 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 418 6 1 7 3.0 COc1cc(C#N)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
11853338 104719 0 None 263 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 8 0 4 5.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN(C)C 10.1021/jm4014373
CHEMBL3105491 104719 0 None 263 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 8 0 4 5.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCN(C)C 10.1021/jm4014373
118716143 114875 0 None 32 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 486 9 4 6 3.8 NC(CO)(CCc1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341921 114875 0 None 32 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 486 9 4 6 3.8 NC(CO)(CCc1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
57522811 76441 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 521 9 1 6 6.5 CCc1c(CN(C)C(C)(C)C(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059682 76441 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 521 9 1 6 6.5 CCc1c(CN(C)C(C)(C)C(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
166559064 191881 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 0 6 4.2 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5199664 191881 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 0 6 4.2 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
44547608 73674 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 422 8 2 7 4.1 COc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 10.1016/j.bmcl.2012.02.083
CHEMBL2018308 73674 0 None - 1 Human 7.0 pEC50 = 7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 422 8 2 7 4.1 COc1cc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cnc1OC(C)C 10.1016/j.bmcl.2012.02.083
57402358 69875 0 None 19 2 Human 7.0 pEC50 = 7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 461 7 1 5 5.6 CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
CHEMBL1938927 69875 0 None 19 2 Human 7.0 pEC50 = 7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 461 7 1 5 5.6 CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
56949269 144427 0 None 21 2 Human 7.0 pEC50 = 7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 333 5 0 4 5.0 c1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1 nan
CHEMBL3906369 144427 0 None 21 2 Human 7.0 pEC50 = 7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 333 5 0 4 5.0 c1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1 nan
44412866 79540 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1coc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
CHEMBL211407 79540 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 400 7 1 5 5.2 Cc1cc(CCC(=O)O)ccc1-c1coc(-c2cnc(OC(C)C)c(Cl)c2)n1 10.1016/j.bmcl.2006.04.064
70690085 74958 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 374 7 1 5 4.7 CC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032306 74958 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 374 7 1 5 4.7 CC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
70681674 74960 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 403 9 1 6 4.9 CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032308 74960 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 403 9 1 6 4.9 CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
66655775 167683 0 None -158 2 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 453 6 1 4 4.9 O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F 10.1016/j.bmcl.2017.12.018
CHEMBL4208771 167683 0 None -158 2 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 453 6 1 4 4.9 O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F 10.1016/j.bmcl.2017.12.018
CHEMBL4302165 167683 0 None -158 2 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 453 6 1 4 4.9 O=C(O)CCN1CCC2(CC1)COc1c2ccc(OCc2c(Cl)cccc2Cl)c1F 10.1016/j.bmcl.2017.12.018
70695740 73151 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 338 6 0 5 4.0 CCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011708 73151 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 338 6 0 5 4.0 CCCCN(C(=O)c1ccccc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
3212805 73160 4 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011717 73160 4 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70685212 73186 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 361 6 0 4 5.1 CCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011748 73186 0 None - 1 Human 6.0 pEC50 = 6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 361 6 0 4 5.1 CCCCN(C(=O)C1CCCCC1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
49872696 117607 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 414 6 3 5 2.8 CS(=O)(=O)c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1 10.1016/j.bmcl.2014.11.089
CHEMBL3400912 117607 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 414 6 3 5 2.8 CS(=O)(=O)c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1 10.1016/j.bmcl.2014.11.089
49872698 117610 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.7 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3400915 117610 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.7 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(Cl)c3)cc21 10.1016/j.bmcl.2014.11.089
57570480 87601 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336077 87601 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
57570471 87614 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2)cc1C(F)(F)F)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336090 87614 0 None - 1 Human 5.0 pEC50 = 5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2)cc1C(F)(F)F)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
25182932 153650 0 None - 1 Human 7.0 pEC50 = 7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 339 8 2 5 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
CHEMBL3981078 153650 0 None - 1 Human 7.0 pEC50 = 7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 339 8 2 5 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
665938 26722 11 None -2 2 Human 5.0 pEC50 = 5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 319 1 0 8 1.2 Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)no1 nan
CHEMBL1362307 26722 11 None -2 2 Human 5.0 pEC50 = 5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 319 1 0 8 1.2 Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)no1 nan
59446922 144673 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 408 9 2 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)O)cc3c2)ncn1 nan
CHEMBL3908375 144673 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 408 9 2 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)O)cc3c2)ncn1 nan
44547708 68344 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 485 4 1 5 4.8 O=C(O)CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916562 68344 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 485 4 1 5 4.8 O=C(O)CC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
46237050 8932 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 366 5 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(CCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097843 8932 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 366 5 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(CCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
46236268 9006 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 5.3 CCC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098447 9006 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 5.3 CCC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
46236270 9008 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 370 3 1 4 4.7 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098449 9008 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 370 3 1 4 4.7 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1 10.1021/jm100181s
46236931 9016 0 None -7 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 0 3 5.3 CC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098484 9016 0 None -7 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 0 3 5.3 CC(C)/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
25182921 7598 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1087911 7598 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182921 7598 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087911 7598 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
25182747 144493 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.8 Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C nan
CHEMBL3906861 144493 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.8 Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C nan
16193872 28473 9 None -3 2 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 348 1 0 6 2.5 N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2Cl)c1=O nan
CHEMBL1375597 28473 9 None -3 2 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 348 1 0 6 2.5 N#Cc1cc2c(=O)n3ccccc3nc2n(-c2ccccc2Cl)c1=O nan
59446821 148736 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 9 1 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1 nan
CHEMBL3940288 148736 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 9 1 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ncn1 nan
168283175 192892 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5189040 192892 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222050 192892 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
46236660 8961 0 None 3 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1098144 8961 0 None 3 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
665934 42739 11 None -2 2 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 335 1 0 8 1.6 Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3nccs3)c(=O)n2c1 nan
CHEMBL1501839 42739 11 None -2 2 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 335 1 0 8 1.6 Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3nccs3)c(=O)n2c1 nan
25182903 149467 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 351 6 1 5 3.7 O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3946165 149467 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 351 6 1 5 3.7 O=C(Nc1ccncc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
59446829 147397 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 9 2 7 2.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(N)=O)c2)ncn1 nan
CHEMBL3929757 147397 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 9 2 7 2.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(N)=O)c2)ncn1 nan
25182754 152220 0 None 4 2 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 347 4 2 5 4.0 O=C(Nc1ccnc2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3968786 152220 0 None 4 2 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 347 4 2 5 4.0 O=C(Nc1ccnc2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
118716151 114883 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 6 3.0 Cc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341929 114883 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 6 3.0 Cc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
49873105 117958 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 453 7 1 5 5.1 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OCF)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3403627 117958 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 453 7 1 5 5.1 O=C(O)CC1OCCn2c1cc1cc(OCc3ccc(OCF)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
11977936 70907 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951303 70907 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
70683479 74166 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 456 8 1 6 5.7 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022912 74166 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 456 8 1 6 5.7 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
11280849 63435 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 393 11 2 3 4.9 CC1=C(CNCCC(=O)O)CCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
CHEMBL1797508 63435 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 393 11 2 3 4.9 CC1=C(CNCCC(=O)O)CCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
44547556 68357 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 461 6 1 6 4.2 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C(F)(F)F 10.1016/j.bmcl.2011.05.110
CHEMBL1916575 68357 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 461 6 1 6 4.2 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C(F)(F)F 10.1016/j.bmcl.2011.05.110
44547557 68359 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 427 6 1 6 3.8 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2011.05.110
CHEMBL1916577 68359 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 427 6 1 6 3.8 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2011.05.110
44625749 87604 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 488 10 2 4 6.0 C/C(=N\OCc1ccc(-c2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336080 87604 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 488 10 2 4 6.0 C/C(=N\OCc1ccc(-c2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
46224715 199256 0 None 7 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 371 3 1 5 2.5 Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL590135 199256 0 None 7 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 371 3 1 5 2.5 Cc1nn(C(=O)/C=C/c2cccc(S(N)(=O)=O)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
76314475 105575 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 443 10 2 5 5.0 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCNCCO 10.1021/jm401456d
CHEMBL3122008 105575 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 443 10 2 5 5.0 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCNCCO 10.1021/jm401456d
46237179 8826 0 None 11 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 430 7 1 5 4.9 CCC/N=C1\S/C(=C\c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1096873 8826 0 None 11 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 430 7 1 5 4.9 CCC/N=C1\S/C(=C\c2ccc(OCCO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
127046568 139585 0 None 128 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(OC4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3797376 139585 0 None 128 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cc(OC4CCCC4)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
53234380 152412 0 None 5495 2 Human 8.0 pEC50 = 8.0 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
CHEMBL3970572 152412 0 None 5495 2 Human 8.0 pEC50 = 8.0 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
166559127 192953 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5198753 192953 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5222437 192953 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
168272109 190313 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 431 7 0 8 3.2 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C#N)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5176185 190313 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 431 7 0 8 3.2 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C#N)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
163322144 192778 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5176383 192778 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221331 192778 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
57391457 70900 0 None 109 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1ccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951155 70900 0 None 109 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1ccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)cc1 10.1016/j.bmcl.2011.12.019
46881848 7057 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 371 13 2 4 4.0 CCCCCCCOc1ccc(CC[C@](C)(N)CCS(=O)(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1084930 7057 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 371 13 2 4 4.0 CCCCCCCOc1ccc(CC[C@](C)(N)CCS(=O)(=O)O)cc1 10.1016/j.bmcl.2010.01.118
46236403 8635 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 10.1021/jm100181s
CHEMBL1095153 8635 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 10.1021/jm100181s
127048103 139620 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 2 8 3.6 CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797568 139620 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 2 8 3.6 CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CO 10.1016/j.ejmech.2016.03.048
57393474 69754 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 374 7 2 4 2.8 NC(=O)C1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 10.1016/j.bmcl.2011.10.088
CHEMBL1935664 69754 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 374 7 2 4 2.8 NC(=O)C1(CCc2ccc(OCc3ccc(Cl)cc3)cc2)COC(=O)N1 10.1016/j.bmcl.2011.10.088
57395373 69891 0 None 2 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938944 69891 0 None 2 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
166559106 192934 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5192922 192934 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5222307 192934 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
168272229 190443 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 9 1 5 4.2 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5178428 190443 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 9 1 5 4.2 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
168279492 190748 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 7 0 7 3.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5182920 190748 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 7 0 7 3.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
118716177 114894 0 None 12 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 432 9 4 7 2.0 Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342002 114894 0 None 12 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 432 9 4 7 2.0 Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
25182914 151957 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 370 9 2 7 1.7 COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL3966554 151957 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 370 9 2 7 1.7 COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
76318194 105752 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 9 3 8 1.5 CCc1cc(-c2noc(-c3ccncc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126599 105752 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 9 3 8 1.5 CCc1cc(-c2noc(-c3ccncc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
166559140 192970 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5201690 192970 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222521 192970 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
24956676 8520 0 None 2 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 5 1 4 5.3 CCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1094213 8520 0 None 2 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 5 1 4 5.3 CCCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
90660718 59982 0 None -1 3 Human 7.0 pEC50 = 7.0 Functional
PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 1 (S1P1) counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1563, AID1686, AID1701, AID1801, AID463107, AID463225, AID504400]PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 1 (S1P1) counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1563, AID1686, AID1701, AID1801, AID463107, AID463225, AID504400]
ChEMBL 391 4 0 5 3.9 C/N=C1\S/C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1OC nan
CHEMBL1734070 59982 0 None -1 3 Human 7.0 pEC50 = 7.0 Functional
PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 1 (S1P1) counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1563, AID1686, AID1701, AID1801, AID463107, AID463225, AID504400]PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 1 (S1P1) counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1563, AID1686, AID1701, AID1801, AID463107, AID463225, AID504400]
ChEMBL 391 4 0 5 3.9 C/N=C1\S/C(=C/c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1OC nan
59446851 142714 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 9 1 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cncn3)c2)ncn1 nan
CHEMBL3892300 142714 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 9 1 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3cncn3)c2)ncn1 nan
46195317 152133 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 442 8 3 8 3.1 CCOc1ccc(-c2nc(-c3cccc4c3ccn4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3967970 152133 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 442 8 3 8 3.1 CCOc1ccc(-c2nc(-c3cccc4c3ccn4CC(N)(CO)CO)no2)cc1Cl nan
25182744 147621 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3931316 147621 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
25182927 143128 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 479 10 2 7 4.3 COC(=O)C(C)(C)NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3895726 143128 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 479 10 2 7 4.3 COC(=O)C(C)(C)NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182621 6268 0 None -4 2 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081654 6268 0 None -4 2 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
25182621 6268 0 None -4 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081654 6268 0 None -4 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
16051482 106077 12 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 523 12 4 6 4.8 NC(CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)COP(=O)(O)O 10.1039/C3MD00079F
53394692 106077 12 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 523 12 4 6 4.8 NC(CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133604 106077 12 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 523 12 4 6 4.8 NC(CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)COP(=O)(O)O 10.1039/C3MD00079F
57400584 69877 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 453 5 1 5 4.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCCCC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938929 69877 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 453 5 1 5 4.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCCCC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
25182929 142460 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 8 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CO)cc2C)ncn1 nan
CHEMBL3890236 142460 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 8 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CO)cc2C)ncn1 nan
1776080 108132 7 None -1 3 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 343 2 0 4 3.8 C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C nan
CHEMBL3195883 108132 7 None -1 3 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 343 2 0 4 3.8 C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C nan
46224716 200933 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 371 3 1 5 2.5 Cc1nn(C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL601701 200933 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 371 3 1 5 2.5 Cc1nn(C(=O)/C=C/c2ccc(S(N)(=O)=O)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
25182915 6028 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 364 7 2 5 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1 nan
CHEMBL1080383 6028 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 364 7 2 5 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1 nan
25182909 6029 0 None 21 2 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 501 10 3 7 2.9 Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1080384 6029 0 None 21 2 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 501 10 3 7 2.9 Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25182915 6028 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 364 7 2 5 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080383 6028 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 364 7 2 5 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1 10.1016/j.bmcl.2010.01.102
25182909 6029 0 None 21 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 501 10 3 7 2.9 Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080384 6029 0 None 21 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 501 10 3 7 2.9 Cc1cc(S(=O)(=O)NCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
44412827 77739 0 None 89 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 432 9 1 4 6.9 Cc1cc(CCCCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL209008 77739 0 None 89 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 432 9 1 4 6.9 Cc1cc(CCCCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
25182899 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assayAgonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080865 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assayAgonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
24986921 70912 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 461 8 1 7 5.3 CCc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1CN1CC(C(=O)O)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951308 70912 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 461 8 1 7 5.3 CCc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1CN1CC(C(=O)O)C1 10.1016/j.bmcl.2011.12.019
134319262 166822 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 480 10 3 6 4.9 CCCCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4284880 166822 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 480 10 3 6 4.9 CCCCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
46237180 8862 1 None 14 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1097184 8862 1 None 14 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OCC(O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
67172159 142877 0 None 1174 2 Human 7.9 pEC50 = 7.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 497 6 2 6 5.5 CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O nan
CHEMBL3893505 142877 0 None 1174 2 Human 7.9 pEC50 = 7.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 497 6 2 6 5.5 CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O nan
57404343 73170 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 435 7 1 5 5.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CO)cc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011732 73170 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 435 7 1 5 5.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CO)cc2)s1 10.1016/j.bmcl.2012.02.016
118716139 114870 0 None 79 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 432 9 4 6 3.0 Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341917 114870 0 None 79 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 432 9 4 6 3.0 Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
118723170 116273 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 376 6 2 4 4.1 COc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C#N 10.1021/ml500389m
CHEMBL3358907 116273 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 376 6 2 4 4.1 COc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C#N 10.1021/ml500389m
23121622 63423 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 12 2 3 4.2 O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
CHEMBL1797414 63423 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 12 2 3 4.2 O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
57570481 87612 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccccc2)cc1F)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336088 87612 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccccc2)cc1F)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
44422590 85527 0 None 12 2 Human 5.9 pEC50 = 5.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL227530 85527 0 None 12 2 Human 5.9 pEC50 = 5.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1ccc(NC(=O)[C@@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
44412605 139552 0 None 2 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1csc(-c2ccc(OC(C)C)c(C#N)c2)c1 10.1016/j.bmcl.2006.04.064
CHEMBL379660 139552 0 None 2 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1csc(-c2ccc(OC(C)C)c(C#N)c2)c1 10.1016/j.bmcl.2006.04.064
46880278 6081 0 None - 1 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 335 4 3 4 4.0 O=C(Nc1ccc2[nH]ccc2c1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080685 6081 0 None - 1 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 335 4 3 4 4.0 O=C(Nc1ccc2[nH]ccc2c1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
166559064 191881 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 0 6 4.2 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5199664 191881 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 0 6 4.2 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)OC)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
46236807 9058 0 None -1 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.3 CC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098811 9058 0 None -1 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.3 CC(C)/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
44138103 75781 0 None -2 4 Human 6.9 pEC50 = 6.9 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Human 6.9 pEC50 = 6.9 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
57403052 70684 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 361 3 1 4 5.2 Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950557 70684 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 361 3 1 4 5.2 Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
59446921 150828 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 475 11 2 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2C)ncn1 nan
CHEMBL3956992 150828 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 475 11 2 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)CC(=O)O)cc2C)ncn1 nan
46236806 8727 0 None -3 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 322 3 0 3 4.6 CC(C)/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1095987 8727 0 None -3 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 322 3 0 3 4.6 CC(C)/N=C1\S/C(=C\c2ccccc2)C(=O)N1c1ccccc1 10.1021/jm100181s
46236520 8898 0 None 2 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 4 1 4 5.5 CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1097537 8898 0 None 2 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 4 1 4 5.5 CCc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
70694787 76433 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 505 8 1 6 5.7 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059674 76433 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 505 8 1 6 5.7 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
70688067 74967 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 453 8 1 4 6.3 O=C(O)CCCCCc1ccn2nc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032315 74967 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 453 8 1 4 6.3 O=C(O)CCCCCc1ccn2nc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
70692238 74968 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 451 8 2 1 7.7 O=C(O)CCCCCc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032316 74968 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 451 8 2 1 7.7 O=C(O)CCCCCc1ccc2[nH]c(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2c1 10.1016/j.bmcl.2012.04.095
66655236 167685 0 None -50 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 445 7 1 4 5.4 CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4210019 167685 0 None -50 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 445 7 1 4 5.4 CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4302167 167685 0 None -50 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 445 7 1 4 5.4 CCc1cccc(Cl)c1CSc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
70693634 73166 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 389 6 0 4 5.4 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011728 73166 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 389 6 0 4 5.4 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
44129144 116383 0 None 15 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 1 7 4.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359839 116383 0 None 15 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 1 7 4.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1Cl 10.1021/jm5010336
44129142 116419 0 None 125 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360367 116419 0 None 125 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl 10.1021/jm5010336
44128662 116426 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 4.1 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCNC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360374 116426 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 4.1 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCNC4)no2)cc1C#N 10.1021/jm5010336
2891826 53951 12 None -1 2 Human 4.9 pEC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 362 5 0 5 4.9 COc1ccc(C2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1 nan
CHEMBL1605463 53951 12 None -1 2 Human 4.9 pEC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 362 5 0 5 4.9 COc1ccc(C2CC(c3cccs3)=NN2c2ccc(C=O)cc2)cc1 nan
44548226 73676 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 393 7 2 6 3.9 COc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OC 10.1016/j.bmcl.2012.02.083
CHEMBL2018310 73676 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 393 7 2 6 3.9 COc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OC 10.1016/j.bmcl.2012.02.083
66655406 167547 0 None -50 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 5.2 CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4205333 167547 0 None -50 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 5.2 CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4300295 167547 0 None -50 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 5.2 CC(C)c1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
56601979 167667 0 None -19 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.0 CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O 10.1016/j.bmcl.2017.12.018
CHEMBL4217349 167667 0 None -19 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.0 CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O 10.1016/j.bmcl.2017.12.018
CHEMBL4301966 167667 0 None -19 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.0 CC(CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12)C(=O)O 10.1016/j.bmcl.2017.12.018
3721977 73157 5 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011714 73157 5 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
3212804 73158 5 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011715 73158 5 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70693632 73161 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011718 73161 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70691539 73162 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011719 73162 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
66655587 167634 0 None -63 3 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4205714 167634 0 None -63 3 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4301563 167634 0 None -63 3 Human 4.9 pEC50 = 4.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cc(Cl)ccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
118716178 114895 0 None 23 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 448 10 4 8 1.7 COc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342003 114895 0 None 23 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 448 10 4 8 1.7 COc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
53322736 57998 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5c(F)cccc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672562 57998 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5c(F)cccc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
59447014 147352 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 515 10 2 7 3.3 Cc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3929418 147352 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 515 10 2 7 3.3 Cc1cc(S(=O)(=O)N(C)CC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
118716187 114904 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 7 2.0 Cc1ccc(Cn2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342012 114904 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 7 2.0 Cc1ccc(Cn2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
25182899 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL1080865 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
25182899 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080865 6121 0 None 11 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
70687554 73627 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 421 4 2 4 4.7 COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017805 73627 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 421 4 2 4 4.7 COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1 10.1021/ml2001399
70691745 73630 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 415 4 2 4 4.7 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccn2)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017808 73630 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 415 4 2 4 4.7 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccn2)c(C(F)(F)F)c1 10.1021/ml2001399
57402328 70918 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 503 10 1 7 6.3 CCCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951314 70918 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 503 10 1 7 6.3 CCCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
67196129 156100 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 433 8 1 3 5.5 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3C)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4063139 156100 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 433 8 1 3 5.5 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3C)ccc21 10.1021/acs.jmedchem.7b00785
53320088 57990 0 None 52 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672554 57990 0 None 52 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 10.1021/ml100228m
44217169 139865 0 None 44 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3ccc(CN(C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799260 139865 0 None 44 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3ccc(CN(C)CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
11853579 104391 0 None 616 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 11 2 5 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCCO 10.1021/jm4014373
CHEMBL3102983 104391 0 None 616 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 11 2 5 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNCCO 10.1021/jm4014373
46883880 8016 0 None 67 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1090758 8016 0 None 67 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@H]([C@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
168293063 192074 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5202775 192074 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
56948659 154068 0 None 30 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL3984700 154068 0 None 30 2 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 10.1021/acs.jmedchem.6b01575
134319251 166735 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 451 8 4 6 4.2 CCCCNc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4283231 166735 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 451 8 4 6 4.2 CCCCNc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
56948659 154068 0 None 30 2 Human 6.9 pEC50 = 6.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3984700 154068 0 None 30 2 Human 6.9 pEC50 = 6.9 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
23121209 63437 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 419 9 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
CHEMBL1797510 63437 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 419 9 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
57390142 69876 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 6 4.2 O=C(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
CHEMBL1938928 69876 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 6 4.2 O=C(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
168280557 190799 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5183758 190799 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
46194884 152611 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 436 7 3 6 3.4 NC(CO)(CO)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc21 nan
CHEMBL3972087 152611 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 436 7 3 6 3.4 NC(CO)(CO)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc21 nan
59446895 148823 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 327 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(OC2CCCCC2)ncn1 nan
CHEMBL3941017 148823 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 327 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(OC2CCCCC2)ncn1 nan
59447030 149244 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 435 9 1 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1 nan
CHEMBL3944313 149244 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 435 9 1 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)N(C)C)cc3c2)ncn1 nan
25192001 8057 0 None 2 4 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1091103 8057 0 None 2 4 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 413 12 4 4 3.5 CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
25182912 149988 0 None - 1 Human 4.9 pEC50 = 4.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 5 2 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(OC2CCCCC2)ncn1 nan
CHEMBL3950126 149988 0 None - 1 Human 4.9 pEC50 = 4.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 5 2 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(OC2CCCCC2)ncn1 nan
66923349 86572 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 418 12 3 4 4.6 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
CHEMBL2315819 86572 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 418 12 3 4 4.6 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
25182777 148359 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 361 4 1 5 4.0 CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1 nan
CHEMBL3937270 148359 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 361 4 1 5 4.0 CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1 nan
2924 1638 43 None 2 7 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1039/C3MD00079F
44398069 1638 43 None 2 7 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1039/C3MD00079F
9908268 1638 43 None 2 7 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1039/C3MD00079F
CHEMBL114606 1638 43 None 2 7 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1039/C3MD00079F
76329310 106073 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 457 12 4 5 4.2 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1039/C3MD00079F
CHEMBL3133600 106073 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 457 12 4 5 4.2 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c2)cc1 10.1039/C3MD00079F
44412661 139541 0 None 14 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 406 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL379612 139541 0 None 14 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 406 7 1 5 5.5 Cc1cc(CCC(=O)O)ccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
44412883 77295 0 None 58 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 404 7 1 4 6.2 Cc1cc(CCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL208224 77295 0 None 58 3 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 404 7 1 4 6.2 Cc1cc(CCCC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
70691746 73632 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 380 4 2 3 4.8 COc1ccccc1C(=O)NC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017810 73632 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 380 4 2 3 4.8 COc1ccccc1C(=O)NC(=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1 10.1021/ml2001399
57400520 70922 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 9 1 8 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(OC)c2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951318 70922 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 9 1 8 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(OC)c2)n1 10.1016/j.bmcl.2011.12.019
11852148 105578 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 11 3 6 4.3 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCO 10.1021/jm401456d
CHEMBL3122011 105578 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 473 11 3 6 4.3 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CNCCO 10.1021/jm401456d
127048101 139613 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 11 4 9 2.2 CCc1cc(-c2noc(-c3cc(C)c(CNC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797534 139613 0 None - 1 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 11 4 9 2.2 CCc1cc(-c2noc(-c3cc(C)c(CNC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44217168 139815 0 None 64 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3ccc(CN(C)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798876 139815 0 None 64 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3ccc(CN(C)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
127045963 139831 0 None 26 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 13 3 9 3.6 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C 10.1016/j.ejmech.2016.03.048
CHEMBL3799029 139831 0 None 26 2 Human 7.9 pEC50 = 7.9 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 530 13 3 9 3.6 CCCN(C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c(C)c1C 10.1016/j.ejmech.2016.03.048
166559127 192953 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5198753 192953 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5222437 192953 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
44422606 85571 0 None -3 5 Human 6.9 pEC50 = 6.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 329 11 3 3 3.1 CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL228049 85571 0 None -3 5 Human 6.9 pEC50 = 6.9 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 329 11 3 3 3.1 CCCCCCc1ccc(OC[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
71718271 87600 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 432 11 2 5 4.9 COc1ccccc1-c1ccc(CO/N=C(\C)c2ccc(CNCCC(=O)O)cc2)cc1 10.1021/ml300396r
CHEMBL2336076 87600 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 432 11 2 5 4.9 COc1ccccc1-c1ccc(CO/N=C(\C)c2ccc(CNCCC(=O)O)cc2)cc1 10.1021/ml300396r
44624207 116274 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 5 2 3 5.1 N#Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
CHEMBL3358908 116274 0 None - 1 Human 6.9 pEC50 = 6.9 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 5 2 3 5.1 N#Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
59446904 144860 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 437 9 2 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2C)ncn1 nan
CHEMBL3909829 144860 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 437 9 2 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2C)ncn1 nan
46237177 8921 0 None -2 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 6 1 5 3.9 CC(C)/N=C1\S/C(=C\c2cccc(OCCO)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097802 8921 0 None -2 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 6 1 5 3.9 CC(C)/N=C1\S/C(=C\c2cccc(OCCO)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
46195029 144362 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 420 6 3 8 2.5 Cc1cc2cc(-c3nc(-c4cccc5c4CCN5CC(N)(CO)CO)no3)ccc2o1 nan
CHEMBL3905752 144362 0 None - 1 Human 5.9 pEC50 = 5.9 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 420 6 3 8 2.5 Cc1cc2cc(-c3nc(-c4cccc5c4CCN5CC(N)(CO)CO)no3)ccc2o1 nan
46237175 8860 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 7 2 6 3.3 CC(C)/N=C1\S/C(=C\c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097182 8860 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 7 2 6 3.3 CC(C)/N=C1\S/C(=C\c2ccc(OCC(O)CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
25182748 146494 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.8 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)cc1O nan
CHEMBL3922396 146494 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.8 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)cc1O nan
25182935 142658 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 7 2 5 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCNC3)ncn1 nan
CHEMBL3891818 142658 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 7 2 5 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCNC3)ncn1 nan
166559063 192049 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 0 6 5.0 COC(=O)C1CCN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5202350 192049 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 0 6 5.0 COC(=O)C1CCN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
46236269 9007 0 None -1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 2 1 4 5.3 CC(C)(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098448 9007 0 None -1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 2 1 4 5.3 CC(C)(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
118716148 114880 0 None 19 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 443 9 4 7 2.6 N#Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341926 114880 0 None 19 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 443 9 4 7 2.6 N#Cc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
25183062 143327 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 9 1 6 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2C)ncn1 nan
CHEMBL3897284 143327 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 9 1 6 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2C)ncn1 nan
46236930 8975 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 365 4 0 4 4.6 CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098203 8975 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 365 4 0 4 4.6 CC(C)/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
25182933 145015 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 355 9 2 6 2.1 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
CHEMBL3911057 145015 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 355 9 2 6 2.1 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
57399545 70685 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 375 4 1 4 5.0 NCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950558 70685 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 375 4 1 4 5.0 NCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
70685573 74137 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cc(-c2ccc(Oc3ccccc3)cc2)no1 10.1016/j.bmcl.2012.03.067
CHEMBL2022705 74137 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cc(-c2ccc(Oc3ccccc3)cc2)no1 10.1016/j.bmcl.2012.03.067
137646436 157634 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 495 6 2 8 4.3 N#CC1(NC(=O)[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)CC1 10.1021/acs.jmedchem.6b01575
CHEMBL4081304 157634 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 495 6 2 8 4.3 N#CC1(NC(=O)[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)CC1 10.1021/acs.jmedchem.6b01575
118716182 114899 0 None 81 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 502 10 4 8 2.6 NC(CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342007 114899 0 None 81 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 502 10 4 8 2.6 NC(CO)(CCc1ccc(-c2cn(-c3ccc(OC(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
70696493 75273 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 480 6 2 4 5.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCCO)cc21 10.1021/ml200252b
CHEMBL2037125 75273 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 480 6 2 4 5.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCCO)cc21 10.1021/ml200252b
57570487 87607 0 None 199 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 460 10 2 5 5.5 C/C(=N\OCc1ccc(-c2ccco2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336083 87607 0 None 199 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 460 10 2 5 5.5 C/C(=N\OCc1ccc(-c2ccco2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
69144915 104434 0 None 107 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 370 7 1 4 4.5 Cc1sc(C(=O)CCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3103661 104434 0 None 107 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 370 7 1 4 4.5 Cc1sc(C(=O)CCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
127046456 139652 0 None 138 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3cc(C)cc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797802 139652 0 None 138 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3cc(C)cc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
54579593 76444 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 533 8 1 6 6.5 CCc1c(CN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059685 76444 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 533 8 1 6 6.5 CCc1c(CN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
44128746 116414 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360362 116414 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNCC4)no2)cc1Cl 10.1021/jm5010336
58329594 116345 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 423 5 1 3 5.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(Cl)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3359515 116345 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 423 5 1 3 5.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(Cl)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
49872598 117947 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 438 5 3 3 5.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403617 117947 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 438 5 3 3 5.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
11405953 63426 0 None 44 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 13 2 3 4.6 O=C(O)CCNC/C=C/c1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
CHEMBL1797499 63426 0 None 44 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 13 2 3 4.6 O=C(O)CCNC/C=C/c1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
56835182 69881 0 None 30 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 6 1 6 4.5 CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
CHEMBL1938934 69881 0 None 30 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 6 1 6 4.5 CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
70692370 75277 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 509 7 3 5 5.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(NCCC(=O)O)cc21 10.1021/ml200252b
CHEMBL2037129 75277 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 509 7 3 5 5.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(NCCC(=O)O)cc21 10.1021/ml200252b
59446996 144351 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 460 12 2 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)O)cc2)ncn1 nan
CHEMBL3905666 144351 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 460 12 2 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)O)cc2)ncn1 nan
58390980 84112 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 441 9 1 5 5.1 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CCC(=O)O)cc2C)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207775 84112 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 441 9 1 5 5.1 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CCC(=O)O)cc2C)s1 10.1016/j.bmcl.2012.09.110
23121057 58441 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 355 13 2 3 4.1 O=C(O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683043 58441 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 355 13 2 3 4.1 O=C(O)CCNCCCc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
53320170 58449 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 9 1 3 4.7 O=C(O)CCN1CCC/C(=C\c2ccc(OCCCc3ccccc3)cc2)C1 10.1016/j.bmcl.2011.01.029
CHEMBL1683051 58449 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 9 1 3 4.7 O=C(O)CCN1CCC/C(=C\c2ccc(OCCCc3ccccc3)cc2)C1 10.1016/j.bmcl.2011.01.029
57570456 87599 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 432 11 2 5 4.9 COc1ccc(-c2ccc(CO/N=C(\C)c3ccc(CNCCC(=O)O)cc3)cc2)cc1 10.1021/ml300396r
CHEMBL2336075 87599 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 432 11 2 5 4.9 COc1ccc(-c2ccc(CO/N=C(\C)c3ccc(CNCCC(=O)O)cc3)cc2)cc1 10.1021/ml300396r
16737345 57350 0 None 1 2 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 390 5 1 4 4.6 O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651708 57350 0 None 1 2 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 390 5 1 4 4.6 O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
136374592 154023 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 330 2 1 5 4.5 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1 nan
CHEMBL3984238 154023 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 330 2 1 5 4.5 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1 nan
168284935 192910 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5192549 192910 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222161 192910 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
25182775 151119 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 463 9 4 8 1.1 CN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)ncn1)C1CCCCC1 nan
CHEMBL3959287 151119 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 463 9 4 8 1.1 CN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(O)CO)cc2)ncn1)C1CCCCC1 nan
118716156 114889 0 None 6 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 474 11 4 6 3.8 CC(C)c1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341934 114889 0 None 6 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 474 11 4 6 3.8 CC(C)c1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
46236517 9013 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1098467 9013 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
59446914 146932 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 8 1 6 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3ccnc3C)c2)ncn1 nan
CHEMBL3925876 146932 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 8 1 6 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3ccnc3C)c2)ncn1 nan
127048100 139987 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 545 14 3 10 2.5 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799923 139987 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 545 14 3 10 2.5 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
46194741 143236 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 334 11 3 4 2.6 CCCCCCCCc1ccc2c(c1)CN(CC(N)(CO)CO)C2 nan
CHEMBL3896547 143236 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 334 11 3 4 2.6 CCCCCCCCc1ccc2c(c1)CN(CC(N)(CO)CO)C2 nan
44137116 75776 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 2 6 4.3 COc1cc(C#N)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048288 75776 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 2 6 4.3 COc1cc(C#N)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
76329327 106009 0 None 10 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 485 12 4 5 4.4 CCc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
CHEMBL3132870 106009 0 None 10 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 485 12 4 5 4.4 CCc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
70694789 76439 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 6 5.3 CCc1c(-c2nsc(-c3ccc(CC(C)C)c(C#N)c3)n2)ccnc1CCCC(=O)O 10.1021/jm2016107
CHEMBL2059680 76439 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 6 5.3 CCc1c(-c2nsc(-c3ccc(CC(C)C)c(C#N)c3)n2)ccnc1CCCC(=O)O 10.1021/jm2016107
70692232 74957 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 388 8 1 5 5.1 CC(C)Oc1ccc(-c2nc3cc(CCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032302 74957 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 388 8 1 5 5.1 CC(C)Oc1ccc(-c2nc3cc(CCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
70685933 74959 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 402 9 1 5 5.5 CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
CHEMBL2032307 74959 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 402 9 1 5 5.5 CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1Cl 10.1016/j.bmcl.2012.04.095
44128904 116421 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360369 116421 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1Cl 10.1021/jm5010336
44128747 116431 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 455 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CCC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360379 116431 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 455 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CCC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
25182752 146051 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)c(F)c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3918967 146051 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)c(F)c1)c1cc(NC2CCCCC2)ncn1 nan
57522941 76045 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 458 8 0 5 6.5 CCc1c(CCN2CCCCC2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2057288 76045 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 458 8 0 5 6.5 CCc1c(CCN2CCCCC2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
66655362 163617 0 None -79 3 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 423 8 1 4 4.6 CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4203755 163617 0 None -79 3 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 423 8 1 4 4.6 CCc1cccc(CC)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
66655583 167574 0 None -7 2 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4210576 167574 0 None -7 2 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4300642 167574 0 None -7 2 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3cccc(Cl)c3Cl)ccc12 10.1016/j.bmcl.2017.12.018
44624140 116275 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 423 5 2 2 5.9 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358909 116275 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 423 5 2 2 5.9 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
53320108 58005 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(Cl)cc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672569 58005 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(Cl)cc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
647592 33428 17 None -3 4 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 401 5 2 6 2.7 CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1419836 33428 17 None -3 4 Human 4.8 pEC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 401 5 2 6 2.7 CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 nan
44412658 78096 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 8 1 5 4.5 CCCCc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)nc1 10.1016/j.bmcl.2006.04.084
CHEMBL210224 78096 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 8 1 5 4.5 CCCCc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)nc1 10.1016/j.bmcl.2006.04.084
44623999 116270 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 430 6 2 4 5.0 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc(OC(F)(F)F)c1 10.1021/ml500389m
CHEMBL3358904 116270 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 430 6 2 4 5.0 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc(OC(F)(F)F)c1 10.1021/ml500389m
136147416 157235 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 375 5 1 6 3.8 CCc1cc(-c2noc(-c3cc(-c4ccccc4)n(CC)n3)n2)c(C)[nH]c1=O 10.1021/acs.jmedchem.6b01575
CHEMBL4076418 157235 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 375 5 1 6 3.8 CCc1cc(-c2noc(-c3cc(-c4ccccc4)n(CC)n3)n2)c(C)[nH]c1=O 10.1021/acs.jmedchem.6b01575
57570502 87606 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 506 10 2 4 6.2 C/C(=N\OCc1ccc(-c2ccc(F)c(F)c2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336082 87606 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 506 10 2 4 6.2 C/C(=N\OCc1ccc(-c2ccc(F)c(F)c2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
46224713 199405 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 326 2 0 3 4.5 Cc1nn(C(=O)/C=C/c2ccccc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL591102 199405 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 326 2 0 3 4.5 Cc1nn(C(=O)/C=C/c2ccccc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
11869937 199155 8 None 75 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 292 2 0 3 3.8 Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL589402 199155 8 None 75 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 292 2 0 3 3.8 Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
118716141 114872 0 None 15 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 436 9 4 6 2.9 NC(CO)(CCc1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341919 114872 0 None 15 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 436 9 4 6 2.9 NC(CO)(CCc1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
166559096 192809 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5173103 192809 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221484 192809 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
168268684 192771 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5169412 192771 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5221249 192771 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
9969355 58439 0 None 1 3 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 369 14 2 3 4.5 O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683041 58439 0 None 1 3 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 369 14 2 3 4.5 O=C(O)CCNCCCc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
16737679 57360 0 None 70 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651717 57360 0 None 70 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
16737319 57361 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 407 5 1 3 5.8 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651718 57361 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 407 5 1 3 5.8 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
127047226 140082 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 468 11 3 8 2.2 CCc1cc(-c2noc(-c3ccc(CN(C)C)cc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800535 140082 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 468 11 3 8 2.2 CCc1cc(-c2noc(-c3ccc(CN(C)C)cc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
23121412 58448 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 9 1 3 4.4 O=C(O)CCN1CCC(c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.01.029
CHEMBL1683050 58448 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 9 1 3 4.4 O=C(O)CCN1CCC(c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.01.029
16737317 57354 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 385 8 1 5 4.9 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)s3)cc2c1 10.1021/ml100227q
CHEMBL1651711 57354 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 385 8 1 5 4.9 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)s3)cc2c1 10.1021/ml100227q
76332614 105550 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 10 2 6 3.9 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@H](N(C)C)CC2 10.1021/jm401456d
CHEMBL3121984 105550 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 10 2 6 3.9 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@H](N(C)C)CC2 10.1021/jm401456d
136374642 142665 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 319 3 1 3 5.0 CC(C)Cc1ccc(-c2onc3c2CCc2cc(O)ccc2-3)cc1 nan
CHEMBL3891908 142665 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 319 3 1 3 5.0 CC(C)Cc1ccc(-c2onc3c2CCc2cc(O)ccc2-3)cc1 nan
58725140 86574 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 481 8 3 4 5.8 N[C@@H](CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
CHEMBL2315821 86574 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 481 8 3 4 5.8 N[C@@H](CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
118716179 114896 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 436 9 4 7 1.8 NC(CO)(CCc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342004 114896 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 436 9 4 7 1.8 NC(CO)(CCc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
58907649 86567 0 None 27 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 336 12 3 4 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
CHEMBL2315814 86567 0 None 27 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 336 12 3 4 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
25182623 6101 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 nan
CHEMBL1080748 6101 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 nan
25182623 6101 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080748 6101 0 None - 1 Human 4.8 pEC50 = 4.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 10.1016/j.bmcl.2010.01.102
25182762 149490 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.7 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2C)ncn1 nan
CHEMBL3946353 149490 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.7 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2C)ncn1 nan
59447011 153914 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 528 12 1 8 4.4 CCOC(=O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3983299 153914 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 528 12 1 8 4.4 CCOC(=O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
56835182 69881 0 None 30 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 6 1 6 4.5 CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
CHEMBL1938934 69881 0 None 30 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 6 1 6 4.5 CCC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
57570467 87588 0 None 147 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 466 10 2 5 5.9 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)o1 10.1021/ml300396r
CHEMBL2336063 87588 0 None 147 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 466 10 2 5 5.9 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)o1 10.1021/ml300396r
46224768 199297 0 None 5 3 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 293 2 0 4 3.2 Cc1nn(C(=O)/C=C/c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL590384 199297 0 None 5 3 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 293 2 0 4 3.2 Cc1nn(C(=O)/C=C/c2cccnc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
118716154 114887 0 None 54 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 466 10 4 6 3.3 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341932 114887 0 None 54 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 466 10 4 6 3.3 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
59593534 104714 0 None 295 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 410 7 1 3 5.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1CCC(=O)O 10.1021/jm4014373
CHEMBL3105486 104714 0 None 295 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 410 7 1 3 5.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1CCC(=O)O 10.1021/jm4014373
46196021 143770 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 458 9 3 8 2.9 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3900953 143770 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 458 9 3 8 2.9 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1Cl nan
118729920 117948 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.4 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403618 117948 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.4 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
58329608 117955 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 423 9 1 5 5.4 CCOc1ccc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc1OCC 10.1016/j.bmcl.2014.11.089
CHEMBL3403624 117955 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 423 9 1 5 5.4 CCOc1ccc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc1OCC 10.1016/j.bmcl.2014.11.089
71719476 87602 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336078 87602 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
59446973 152993 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 422 10 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)O)c3c2)ncn1 nan
CHEMBL3975330 152993 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 422 10 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)O)c3c2)ncn1 nan
76329326 106088 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 471 11 4 5 4.1 Cc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133703 106088 0 None 1 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 471 11 4 5 4.1 Cc1ccc(Cc2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
25182781 6164 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081079 6164 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 nan
25182776 147676 0 None 17 2 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 4 2 5 3.0 CN(c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)ncn1)C1CCCCC1 nan
CHEMBL3931810 147676 0 None 17 2 Human 5.8 pEC50 = 5.8 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 4 2 5 3.0 CN(c1cc(C(=O)Nc2ccc3c(c2)CC(=O)N3)ncn1)C1CCCCC1 nan
25182781 6164 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081079 6164 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
44600329 70691 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 9 2 5 5.5 O=C(O)CCCNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950564 70691 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 9 2 5 5.5 O=C(O)CCCNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
46236519 8897 0 None 2 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(C)c1 10.1021/jm100181s
CHEMBL1097536 8897 0 None 2 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(C)c1 10.1021/jm100181s
57397321 67909 0 None 1 3 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 403 5 0 4 4.7 CC/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
CHEMBL1910690 67909 0 None 1 3 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 403 5 0 4 4.7 CC/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
44547417 68348 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 7 1 7 4.4 N#Cc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1OC1CCCC1 10.1016/j.bmcl.2011.05.110
CHEMBL1916566 68348 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 472 7 1 7 4.4 N#Cc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1OC1CCCC1 10.1016/j.bmcl.2011.05.110
44547558 68358 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 407 6 1 6 3.5 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C 10.1016/j.bmcl.2011.05.110
CHEMBL1916576 68358 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 407 6 1 6 3.5 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C 10.1016/j.bmcl.2011.05.110
70694427 75267 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CO)cc21 10.1021/ml200252b
CHEMBL2037119 75267 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CO)cc21 10.1021/ml200252b
56951563 75280 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 453 4 2 5 4.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CO)cc21 10.1021/ml200252b
CHEMBL2037132 75280 0 None - 1 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 453 4 2 5 4.4 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CO)cc21 10.1021/ml200252b
10883396 3647 45 None -1 15 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2011.10.085
5283560 3647 45 None -1 15 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2011.10.085
911 3647 45 None -1 15 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2011.10.085
CHEMBL225155 3647 45 None -1 15 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2011.10.085
44625666 87608 0 None 331 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 476 10 2 5 5.9 C/C(=N\OCc1ccc(-c2cccs2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336084 87608 0 None 331 2 Human 7.8 pEC50 = 7.8 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 476 10 2 5 5.9 C/C(=N\OCc1ccc(-c2cccs2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
46195467 149355 0 None 17 2 Human 7.8 pEC50 = 7.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 482 12 3 9 3.0 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCCC nan
CHEMBL3945262 149355 0 None 17 2 Human 7.8 pEC50 = 7.8 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 482 12 3 9 3.0 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCCC nan
166559088 190144 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 419 7 1 6 3.7 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5173606 190144 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 419 7 1 6 3.7 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C#N 10.1021/acs.jmedchem.1c01979
11503967 8019 0 None 1 4 Human 7.7 pEC50 = 7.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 482 10 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL1090796 8019 0 None 1 4 Human 7.7 pEC50 = 7.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 482 10 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
70681815 75275 0 None 8 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 480 5 2 4 5.1 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CC(=O)O)cc21 10.1021/ml200252b
CHEMBL2037127 75275 0 None 8 2 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 480 5 2 4 5.1 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CC(=O)O)cc21 10.1021/ml200252b
57398996 67898 1 None -4 3 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 343 2 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910674 67898 1 None -4 3 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 343 2 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
11530826 104432 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 6 2 4 3.7 Cc1sc(C(=O)NCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3103659 104432 0 None - 1 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 6 2 4 3.7 Cc1sc(C(=O)NCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
53324301 57993 0 None 1 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.3 O=C(O)C1CN(Cc2ccc(-n3cc4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672557 57993 0 None 1 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.3 O=C(O)C1CN(Cc2ccc(-n3cc4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 10.1021/ml100228m
46236805 8788 0 None -8 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 428 7 1 4 5.7 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1 10.1021/jm100181s
CHEMBL1096542 8788 0 None -8 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 428 7 1 4 5.7 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCCCc1ccccc1 10.1021/jm100181s
46195027 153641 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 421 10 3 4 3.5 NC(CO)(CO)CCc1ccc(CCc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 nan
CHEMBL3980981 153641 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 421 10 3 4 3.5 NC(CO)(CO)CCc1ccc(CCc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 nan
46236932 9051 0 None -5 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 0 4 4.6 COc1cccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)c1 10.1021/jm100181s
CHEMBL1098770 9051 0 None -5 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 0 4 4.6 COc1cccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)c1 10.1021/jm100181s
46238366 8814 0 None 6 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 358 3 1 4 4.5 CC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1096788 8814 0 None 6 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 358 3 1 4 4.5 CC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
127046863 139826 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 460 11 4 9 1.9 CCc1cc(-c2noc(-c3ccc(CNC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799007 139826 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 460 11 4 9 1.9 CCc1cc(-c2noc(-c3ccc(CNC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
25182926 7939 0 None -3 3 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090423 7939 0 None -3 3 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182913 148297 0 None 34 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 378 6 2 5 4.0 CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 nan
CHEMBL3936796 148297 0 None 34 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 378 6 2 5 4.0 CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 nan
25182900 153005 0 None 60 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 401 6 1 5 4.8 O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3975495 153005 0 None 60 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 401 6 1 5 4.8 O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
59446971 154064 0 None 173 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 501 11 2 7 3.5 COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 nan
CHEMBL3984678 154064 0 None 173 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 501 11 2 7 3.5 COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 nan
44412853 139003 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)o1 10.1016/j.bmcl.2006.04.064
CHEMBL378562 139003 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 401 7 1 6 4.6 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)o1 10.1016/j.bmcl.2006.04.064
25182926 7939 0 None -3 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1090423 7939 0 None -3 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
57394329 70694 0 None 295 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.4 O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950567 70694 0 None 295 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.4 O=C(O)CCC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
49872695 117606 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 392 5 3 3 4.7 CC(C)(C)c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1 10.1016/j.bmcl.2014.11.089
CHEMBL3400911 117606 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 392 5 3 3 4.7 CC(C)(C)c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc1 10.1016/j.bmcl.2014.11.089
134319264 166921 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 422 6 3 5 3.9 CCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4286777 166921 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 422 6 3 5 3.9 CCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
46866185 7330 0 None 6 4 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 321 12 2 3 4.2 CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1086172 7330 0 None 6 4 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 321 12 2 3 4.2 CCCCCCCOc1ccc(CC[C@](C)(N)CC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
118716185 114902 0 None 245 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 7 2.6 CCCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342010 114902 0 None 245 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 7 2.6 CCCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
23121326 157056 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 417 6 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC3CCc4ccccc4C3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4074023 157056 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 417 6 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC3CCc4ccccc4C3)ccc21 10.1021/acs.jmedchem.7b00785
118707194 113039 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 449 12 3 5 3.9 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311349 113039 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 449 12 3 5 3.9 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmc.2014.05.035
11852049 105570 0 None 234 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 7 1 4 5.4 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCO 10.1021/jm401456d
CHEMBL3122003 105570 0 None 234 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 7 1 4 5.4 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCO 10.1021/jm401456d
24957029 8825 0 None 2 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 5.2 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1096872 8825 0 None 2 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 5.2 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
168292888 192088 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 7 1 5 3.4 CCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5202986 192088 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 7 1 5 3.4 CCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
25192006 7735 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1089005 7735 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
76336566 106068 0 None 56 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 474 11 4 7 3.7 NC(CO)(CCc1ccc(Oc2ccc(-c3coc(C4CC4)n3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133596 106068 0 None 56 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 474 11 4 7 3.7 NC(CO)(CCc1ccc(Oc2ccc(-c3coc(C4CC4)n3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
44547911 73688 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 467 8 1 6 6.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)cn(C(C)C)c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018326 73688 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 467 8 1 6 6.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)cn(C(C)C)c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
70692235 74961 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 436 9 1 5 5.9 CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F 10.1016/j.bmcl.2012.04.095
CHEMBL2032309 74961 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 436 9 1 5 5.9 CC(C)Oc1ccc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F 10.1016/j.bmcl.2012.04.095
11452022 3594 39 None -1 6 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm200609t
6996 3594 39 None -1 6 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm200609t
CHEMBL366208 3594 39 None -1 6 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/jm200609t
44129293 65954 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 375 4 1 7 3.1 CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N 10.1021/jm200609t
CHEMBL1836170 65954 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 375 4 1 7 3.1 CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N 10.1021/jm200609t
54758399 65956 0 None 794 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 448 7 2 8 2.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)CC4)no2)cc1C#N 10.1021/jm200609t
CHEMBL1836172 65956 0 None 794 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 448 7 2 8 2.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)CC4)no2)cc1C#N 10.1021/jm200609t
54756906 65961 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 450 7 2 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(C(CO)CO)C4)no2)cc1C#N 10.1021/jm200609t
CHEMBL1836212 65961 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 450 7 2 9 2.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(C(CO)CO)C4)no2)cc1C#N 10.1021/jm200609t
54756907 65962 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 449 7 2 9 2.5 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cnc2c1CCN(C(CO)CO)C2 10.1021/jm200609t
CHEMBL1836213 65962 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 449 7 2 9 2.5 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)cnc2c1CCN(C(CO)CO)C2 10.1021/jm200609t
44129298 116392 0 None 251 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 427 6 2 6 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359848 116392 0 None 251 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 427 6 2 6 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1Cl 10.1021/jm5010336
25062825 120856 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3cnn4CCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360360 120856 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3cnn4CCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3558707 120856 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3cnn4CCC(=O)O)no2)cc1Cl 10.1021/jm5010336
44406749 75034 0 None 1 3 Human 7.7 pEC50 = 7.7 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 565 18 4 10 4.7 C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
CHEMBL203475 75034 0 None 1 3 Human 7.7 pEC50 = 7.7 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 565 18 4 10 4.7 C[C@@](N)(CCc1ccc(OCCCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)cc1)COP(=O)(O)O 10.1016/j.bmcl.2005.09.038
57395372 69889 0 None 13 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938942 69889 0 None 13 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 10.1016/j.bmcl.2011.10.085
127046640 139722 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 4 8 1.8 CCc1cc(-c2noc(-c3cccc(CNC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798229 139722 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 4 8 1.8 CCc1cc(-c2noc(-c3cccc(CNC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
46880925 7558 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 428 7 1 6 3.7 CS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1087664 7558 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 428 7 1 6 3.7 CS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
46880925 7558 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 428 7 1 6 3.7 CS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087664 7558 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 428 7 1 6 3.7 CS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
1093785 31515 14 None - 1 Human 6.7 pEC50 = 6.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 284 3 1 3 3.7 Cc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1 nan
CHEMBL1403642 31515 14 None - 1 Human 6.7 pEC50 = 6.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 284 3 1 3 3.7 Cc1ccc(-c2cc(C(=O)NC3CCCCC3)no2)cc1 nan
25182750 151469 0 None - 1 Human 4.7 pEC50 = 4.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 297 4 2 5 2.9 O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3962156 151469 0 None - 1 Human 4.7 pEC50 = 4.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 297 4 2 5 2.9 O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1 nan
168272229 190443 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 9 1 5 4.2 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5178428 190443 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 9 1 5 4.2 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
57392609 70692 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 8 1 5 5.5 CN(CCC(=O)O)Cc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950565 70692 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 8 1 5 5.5 CN(CCC(=O)O)Cc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57391887 69872 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccn5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938924 69872 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccn5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
57522940 76044 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 446 8 1 6 4.7 CCc1c(CCN2CC(O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2057287 76044 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 446 8 1 6 4.7 CCc1c(CCN2CC(O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
44547910 73687 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 467 9 1 6 6.2 CCCn1cc(CCC(=O)O)c2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c21 10.1016/j.bmcl.2012.02.083
CHEMBL2018325 73687 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 467 9 1 6 6.2 CCCn1cc(CCC(=O)O)c2cccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c21 10.1016/j.bmcl.2012.02.083
3212803 73163 2 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011720 73163 2 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
25182755 7493 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 375 5 3 6 2.1 NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
CHEMBL1087141 7493 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 375 5 3 6 2.1 NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
25182755 7493 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 375 5 3 6 2.1 NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087141 7493 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 375 5 3 6 2.1 NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
145947403 167666 0 None -125 3 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 8 1 4 5.1 CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4205878 167666 0 None -125 3 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 8 1 4 5.1 CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4301965 167666 0 None -125 3 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 8 1 4 5.1 CCCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CCC(=O)O)CC1 10.1016/j.bmcl.2017.12.018
25182773 7624 0 None 53 3 Human 8.7 pEC50 = 8.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 443 7 2 6 3.2 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1088177 7624 0 None 53 3 Human 8.7 pEC50 = 8.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 443 7 2 6 3.2 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
58390822 84125 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 464 10 1 6 4.1 CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207788 84125 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 464 10 1 6 4.1 CCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
44600476 57398 7 None 14 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.12.073
CHEMBL1651861 57398 7 None 14 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.12.073
57397897 70693 0 None 724 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 4.8 O=C(O)CNCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950566 70693 0 None 724 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 4.8 O=C(O)CNCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57390795 70698 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@H](CC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950570 70698 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@H](CC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
57399579 70699 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@@H](CC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950571 70699 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 476 7 3 6 4.3 N[C@@H](CC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
118729921 117952 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403621 117952 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 2 2 7.3 O=C(O)CC1CCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
44600476 57398 7 None 14 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1651861 57398 7 None 14 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
46206107 7855 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 10 4 5 4.7 Cc1cccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)c(F)c2)c1 10.1021/jm901776q
CHEMBL1089809 7855 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 10 4 5 4.7 Cc1cccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)c(F)c2)c1 10.1021/jm901776q
107970 1637 83 None -30 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.085
2407 1637 83 None -30 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.085
4167 1637 83 None -30 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.085
CHEMBL314854 1637 83 None -30 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.085
DB08868 1637 83 None -30 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.085
57570497 87592 0 None 2951 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 490 10 2 4 6.6 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C)c1 10.1021/ml300396r
CHEMBL2336067 87592 0 None 2951 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 490 10 2 4 6.6 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)c(C)c1 10.1021/ml300396r
46224769 200840 0 None 251 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 331 2 1 3 4.3 Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL601062 200840 0 None 251 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 331 2 1 3 4.3 Cc1nn(C(=O)/C=C/c2cccc3[nH]ccc23)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
11853835 104710 0 None 501 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 10 2 6 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 10.1021/jm4014373
CHEMBL3105482 104710 0 None 501 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 511 10 2 6 4.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 10.1021/jm4014373
76325529 105744 0 None 12 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 522 11 3 8 4.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCCC2)n1 10.1021/jm4014696
CHEMBL3126590 105744 0 None 12 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 522 11 3 8 4.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCCC2)n1 10.1021/jm4014696
11452022 3594 39 None -1 6 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
6996 3594 39 None -1 6 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
CHEMBL366208 3594 39 None -1 6 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2010.02.006
44422604 85446 0 None 9 5 Human 8.7 pEC50 = 8.7 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 432 15 4 4 4.4 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL226612 85446 0 None 9 5 Human 8.7 pEC50 = 8.7 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 432 15 4 4 4.4 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CC(F)OP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
44156478 75783 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 495 4 1 5 6.4 O=C(O)CC1CCn2c1cc1cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc12 10.1016/j.bmcl.2012.04.129
CHEMBL2048295 75783 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 495 4 1 5 6.4 O=C(O)CC1CCn2c1cc1cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc12 10.1016/j.bmcl.2012.04.129
44412855 77663 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 393 7 1 6 4.5 CCOc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
CHEMBL208897 77663 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 393 7 1 6 4.5 CCOc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
44412865 79901 0 None 616 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 417 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL212420 79901 0 None 616 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 417 7 1 6 5.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2cnc(OC(C)C)c(Cl)c2)s1 10.1016/j.bmcl.2006.04.064
49872982 117964 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 460 7 2 4 5.6 CC(C)Cc1ccc(COc2ccc3c(c2)cc2n3CCNC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
CHEMBL3403633 117964 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 460 7 2 4 5.6 CC(C)Cc1ccc(COc2ccc3c(c2)cc2n3CCNC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
44591264 179977 0 None 2 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 10.1016/j.bmcl.2008.11.072
CHEMBL474688 179977 0 None 2 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 10.1016/j.bmcl.2008.11.072
46886020 8232 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 505 11 4 6 5.1 C=P(O)(O)OCC(N)(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl 10.1021/jm901776q
CHEMBL1092285 8232 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 505 11 4 6 5.1 C=P(O)(O)OCC(N)(CO)CCc1ccc(-c2ccc(SCc3ccccc3)cc2)cc1Cl 10.1021/jm901776q
76318195 105754 0 None 4786 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 10 3 8 2.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
CHEMBL3126601 105754 0 None 4786 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 10 3 8 2.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/jm4014696
44199450 105778 1 None 295 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cnc(N(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126625 105778 1 None 295 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cnc(N(CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
44219525 139940 0 None 47 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799686 139940 0 None 47 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
118877603 180427 0 None 4 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4752394 180427 0 None 4 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
118877584 182451 0 None 7 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4786296 182451 0 None 7 3 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting methodAgonist activity at recombinant human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgammaS binding measured after 45 mins by liquid scintillation counting method
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
45376041 84122 0 None 36 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 482 9 1 6 4.6 CC(C)CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207785 84122 0 None 36 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 482 9 1 6 4.6 CC(C)CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
49872791 117951 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 487 6 2 3 6.7 CC1(CC(=O)O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403620 117951 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 487 6 2 3 6.7 CC1(CC(=O)O)OCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
44565716 179741 0 None 6 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 493 10 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL474418 179741 0 None 6 4 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 493 10 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
118707198 113043 0 None 154 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311353 113043 0 None 154 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 10.1016/j.bmc.2014.05.035
57570503 87587 0 None 1819 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 482 10 2 5 6.3 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)s1 10.1021/ml300396r
CHEMBL2336062 87587 0 None 1819 2 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 482 10 2 5 6.3 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)s1 10.1021/ml300396r
44565717 189528 0 None 1 4 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL514170 189528 0 None 1 4 Human 8.7 pEC50 = 8.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2010.02.098
168268806 192775 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5172303 192775 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221289 192775 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
58329600 117601 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 1 3 7.2 O=C(O)CC1CCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3400906 117601 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 6 1 3 7.2 O=C(O)CC1CCCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
118707197 113042 0 None 5248 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 13 3 5 4.1 CCc1cc(C(=O)CCCc2ccc(C)cc2)ccc1COC[C@@](C)(N)COP(=O)(O)O 10.1016/j.bmc.2014.05.035
CHEMBL3311352 113042 0 None 5248 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 13 3 5 4.1 CCc1cc(C(=O)CCCc2ccc(C)cc2)ccc1COC[C@@](C)(N)COP(=O)(O)O 10.1016/j.bmc.2014.05.035
10195325 85118 0 None 37 4 Human 8.6 pEC50 = 8.6 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 461 7 1 4 5.9 O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
CHEMBL224799 85118 0 None 37 4 Human 8.6 pEC50 = 8.6 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 461 7 1 4 5.9 O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
45377797 84114 0 None 288 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 456 11 2 6 4.4 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207777 84114 0 None 288 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 456 11 2 6 4.4 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.09.110
44412908 77581 0 None 109 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 318 3 0 3 5.8 Cc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL208786 77581 0 None 109 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 318 3 0 3 5.8 Cc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
44591249 180634 0 None 3 4 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 402 13 4 5 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2008.11.072
CHEMBL475495 180634 0 None 3 4 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 402 13 4 5 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2008.11.072
76321770 105433 0 None 6 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 8 1 6 6.4 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](C)CO 10.1021/jm401456d
CHEMBL3120183 105433 0 None 6 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 8 1 6 6.4 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](C)CO 10.1021/jm401456d
46195606 149309 0 None 40 2 Human 8.6 pEC50 = 8.6 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 450 10 3 7 3.4 CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1CCC nan
CHEMBL3944892 149309 0 None 40 2 Human 8.6 pEC50 = 8.6 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 450 10 3 7 3.4 CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1CCC nan
49848778 76397 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2059517 76397 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 435 9 1 6 5.5 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
24986381 73663 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4CCC(=O)O)c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018174 73663 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4CCC(=O)O)c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44125589 116395 0 None 100 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(CCC(=O)O)CO4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359851 116395 0 None 100 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 2 7 4.6 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(CCC(=O)O)CO4)no2)cc1Cl 10.1021/jm5010336
168273693 192804 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5177759 192804 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221447 192804 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
42630194 75775 0 None -2 5 Mouse 8.6 pEC50 = 8.6 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -2 5 Mouse 8.6 pEC50 = 8.6 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
67193675 157962 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 437 8 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3F)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4084786 157962 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 437 8 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3F)ccc21 10.1021/acs.jmedchem.7b00785
57570461 87611 0 None 1659 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 477 10 2 5 5.7 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)nc1 10.1021/ml300396r
CHEMBL2336087 87611 0 None 1659 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 477 10 2 5 5.7 C/C(=N\OCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)nc1 10.1021/ml300396r
11852143 105572 0 None 549 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CO 10.1021/jm401456d
CHEMBL3122005 105572 0 None 549 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CO 10.1021/jm401456d
11589375 104395 0 None 338 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 398 7 1 4 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO 10.1021/jm4014373
CHEMBL3102987 104395 0 None 338 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 398 7 1 4 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO 10.1021/jm4014373
11853337 104717 0 None 301 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 8 1 4 5.4 CNCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
CHEMBL3105489 104717 0 None 301 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 8 1 4 5.4 CNCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
44199411 139836 0 None 165 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
CHEMBL3799086 139836 0 None 165 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
71711503 103920 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 547 14 3 3 7.1 Cc1ccc(CC(CCCSc2ccc(CNCCCP(=O)(O)O)cc2)c2cc(F)cc(F)c2)cc1C 10.1021/ml400360y
CHEMBL3092446 103920 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 547 14 3 3 7.1 Cc1ccc(CC(CCCSc2ccc(CNCCCP(=O)(O)O)cc2)c2cc(F)cc(F)c2)cc1C 10.1021/ml400360y
44565715 180441 0 None 3 4 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 498 12 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL475253 180441 0 None 3 4 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 498 12 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
11752659 166142 0 None 7 3 Human 8.6 pEC50 = 8.6 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 515 7 1 4 6.8 O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
CHEMBL426191 166142 0 None 7 3 Human 8.6 pEC50 = 8.6 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 515 7 1 4 6.8 O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
57395262 71494 0 None 1071 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935578 71494 0 None 1071 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1962545 71494 0 None 1071 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3F)ccc21 10.1016/j.bmcl.2011.11.048
44548010 68354 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 459 6 1 5 4.7 CCc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C(F)(F)F 10.1016/j.bmcl.2011.05.110
CHEMBL1916572 68354 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 459 6 1 5 4.7 CCc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C(F)(F)F 10.1016/j.bmcl.2011.05.110
67351486 105529 0 None 1949 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 475 12 3 6 3.8 Cc1cc(CCC(=O)c2sc(C)c(CC(C)C)c2C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121962 105529 0 None 1949 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 475 12 3 6 3.8 Cc1cc(CCC(=O)c2sc(C)c(CC(C)C)c2C)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
44412841 77052 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 421 8 1 6 5.1 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL207275 77052 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 421 8 1 6 5.1 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(C)C)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
70683480 74169 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 451 8 1 6 5.0 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1cnc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022915 74169 0 None - 1 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 451 8 1 6 5.0 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1cnc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
118707195 113040 0 None 21 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 453 12 3 5 3.7 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(F)c2)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311350 113040 0 None 21 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 453 12 3 5 3.7 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(F)c2)cc1 10.1016/j.bmc.2014.05.035
72793789 104394 0 None 380 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 1 5 5.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN1CC(C(=O)O)C1 10.1021/jm4014373
CHEMBL3102986 104394 0 None 380 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 1 5 5.6 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN1CC(C(=O)O)C1 10.1021/jm4014373
44218903 105763 0 None 63 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 509 11 3 9 2.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N1CCCC1 10.1021/jm4014696
CHEMBL3126610 105763 0 None 63 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 509 11 3 9 2.7 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cnc1N1CCCC1 10.1021/jm4014696
127048099 139579 0 None 602 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 518 13 4 10 1.9 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCO)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797357 139579 0 None 602 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 518 13 4 10 1.9 CCc1cc(-c2noc(-c3cc(C)c(CN(C)CCO)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44217654 140093 0 None 1 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 552 15 3 8 4.2 CCCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
CHEMBL3800604 140093 0 None 1 2 Human 8.6 pEC50 = 8.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 552 15 3 8 4.2 CCCc1cc(CN(C)CC(C)C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
25110406 1295 53 None 70 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC nan
2928 1295 53 None 70 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC nan
CHEMBL3922179 1295 53 None 70 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P1 expressed in CRE-bla CHOK1 cells assessed as inhibition of forskolin-induced cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC nan
25182782 7625 0 None 691 2 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 2 6 3.2 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
CHEMBL1088178 7625 0 None 691 2 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 2 6 3.2 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
25182928 145967 0 None 81 2 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 463 9 2 6 3.8 O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3918272 145967 0 None 81 2 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 463 9 2 6 3.8 O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
44155199 75785 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 1 7 4.2 COc1ccc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
CHEMBL2048297 75785 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 1 7 4.2 COc1ccc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
25182782 7625 0 None 691 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 431 7 2 6 3.2 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
CHEMBL1088178 7625 0 None 691 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 431 7 2 6 3.2 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
44565597 179285 0 None 3 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 436 12 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473156 179285 0 None 3 4 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 436 12 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
11315717 63436 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 405 9 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
CHEMBL1797509 63436 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 405 9 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.05.029
46195742 145938 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 502 9 3 8 3.0 CCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Br nan
CHEMBL3918061 145938 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 502 9 3 8 3.0 CCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Br nan
46881538 7324 0 None 66 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1086158 7324 0 None 66 2 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
46881538 7324 0 None 66 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1086158 7324 0 None 66 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
134319250 166977 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 468 8 3 6 4.9 CCCCSc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4287657 166977 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 468 8 3 6 4.9 CCCCSc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
46881875 7328 0 None -1 4 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 371 13 3 3 4.3 CCCCCCCOc1ccc(CC[C@](C)(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1086170 7328 0 None -1 4 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 371 13 3 3 4.3 CCCCCCCOc1ccc(CC[C@](C)(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
23121393 71635 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 419 8 1 3 5.1 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935582 71635 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 419 8 1 3 5.1 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963520 71635 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 419 8 1 3 5.1 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC(C)(C)Cc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
57391821 71657 0 None 707 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935581 71657 0 None 707 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963632 71657 0 None 707 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 405 8 1 3 4.8 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC(C)CCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
56834955 69896 0 None 125 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938949 69896 0 None 125 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
76318056 105540 0 None -1 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 541 11 3 8 4.7 CCCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC(C)(C)CC2 10.1021/jm401456d
CHEMBL3121974 105540 0 None -1 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 541 11 3 8 4.7 CCCc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c2c1CC(C)(C)CC2 10.1021/jm401456d
76318057 105542 0 None 190 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 416 9 2 5 4.4 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CCCC2 10.1021/jm401456d
CHEMBL3121976 105542 0 None 190 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 416 9 2 5 4.4 CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1CCCC2 10.1021/jm401456d
67266022 140062 0 None 70 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 516 13 4 9 3.2 CCc1cc(-c2noc(-c3cc(C)c(CNCC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800430 140062 0 None 70 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 516 13 4 9 3.2 CCc1cc(-c2noc(-c3cc(C)c(CNCC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
166559096 192809 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5173103 192809 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221484 192809 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 7 1 5 4.1 CCOc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
57400137 70901 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)c1 10.1016/j.bmcl.2011.12.019
CHEMBL1951156 70901 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cccc(Oc2ccc(-c3nc(-c4csc(CN5CC(C(=O)O)C5)c4)no3)cc2)c1 10.1016/j.bmcl.2011.12.019
57400588 69897 0 None 12 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938950 69897 0 None 12 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
46237828 8944 0 None 5 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 369 4 1 6 3.4 COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
CHEMBL1098013 8944 0 None 5 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 369 4 1 6 3.4 COc1cc(/C=C2\S/C(=N\N(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
46236810 8972 0 None 1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 368 4 1 5 4.3 COc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
CHEMBL1098200 8972 0 None 1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 368 4 1 5 4.3 COc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
59446879 147706 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 417 7 2 6 2.8 CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 nan
CHEMBL3932009 147706 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 417 7 2 6 2.8 CCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 nan
70686051 75271 0 None -1 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 4 2 4 5.2 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(C(=O)O)c21 10.1021/ml200252b
CHEMBL2037123 75271 0 None -1 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 4 2 4 5.2 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(C(=O)O)c21 10.1021/ml200252b
16737513 57351 0 None 11 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 10.1021/ml100227q
CHEMBL1651709 57351 0 None 11 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 10.1021/ml100227q
46236811 8973 0 None -1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 0 4 4.6 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1 10.1021/jm100181s
CHEMBL1098201 8973 0 None -1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 0 4 4.6 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1 10.1021/jm100181s
25183069 150172 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 461 12 2 7 2.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1 nan
CHEMBL3951737 150172 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 461 12 2 7 2.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2C)ncn1 nan
46236271 9010 0 None -1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 384 3 1 4 5.1 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCC2)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098450 9010 0 None -1 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 384 3 1 4 5.1 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCC2)N1c1ccccc1 10.1021/jm100181s
76322116 106080 0 None -54 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 421 12 4 4 3.2 CCc1ccc(CCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133607 106080 0 None -54 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 421 12 4 4 3.2 CCc1ccc(CCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
127047225 139732 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 12 4 9 2.7 CCc1cc(-c2noc(-c3ccc(CNC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798293 139732 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 12 4 9 2.7 CCc1cc(-c2noc(-c3ccc(CNC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
59446877 143584 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 1 7 4.1 Cn1cnnc1-c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3899372 143584 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 1 7 4.1 Cn1cnnc1-c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
664390 31436 11 None -2 3 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 447 5 2 7 2.4 N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1 nan
CHEMBL1402796 31436 11 None -2 3 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 447 5 2 7 2.4 N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1 nan
46881536 6537 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 461 11 3 7 2.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1 nan
CHEMBL1082868 6537 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 461 11 3 7 2.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1 nan
46881536 6537 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 461 11 3 7 2.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1082868 6537 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 461 11 3 7 2.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
44412659 78116 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 367 7 1 6 3.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)nc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL210301 78116 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 367 7 1 6 3.9 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(OC(C)C)nc2)n1 10.1016/j.bmcl.2006.04.084
733831 32240 10 None -2 3 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 4 0 7 2.8 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O nan
CHEMBL1409828 32240 10 None -2 3 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 4 0 7 2.8 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O nan
168280557 190799 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5183758 190799 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
127047145 140031 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 4 8 1.8 CCc1cc(-c2noc(-c3ccc(CNC)cc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800203 140031 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 454 11 4 8 1.8 CCc1cc(-c2noc(-c3ccc(CNC)cc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
25182904 143418 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 403 8 2 6 2.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
CHEMBL3898098 143418 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 403 8 2 6 2.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
136212602 11751 8 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 369 11 4 4 3.6 CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 10.1016/j.bmcl.2011.09.049
44394498 11751 8 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 369 11 4 4 3.6 CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 10.1016/j.bmcl.2011.09.049
CHEMBL1181619 11751 8 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 369 11 4 4 3.6 CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 10.1016/j.bmcl.2011.09.049
CHEMBL1910653 11751 8 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 369 11 4 4 3.6 CCCCCCCCc1ccc2nc([C@@H](N)COP(=O)(O)O)[nH]c2c1 10.1016/j.bmcl.2011.09.049
57394952 70903 0 None 144 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)ccc1Oc1ccccc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951158 70903 0 None 144 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)ccc1Oc1ccccc1 10.1016/j.bmcl.2011.12.019
68192087 167179 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 450 8 3 5 4.7 CCCCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4291265 167179 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 450 8 3 5 4.7 CCCCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
51346809 58445 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C\CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683047 58445 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C\CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
46205453 8426 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 443 10 4 5 3.9 NC(CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1093573 8426 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 443 10 4 5 3.9 NC(CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)COP(=O)(O)O 10.1021/jm901776q
53322735 57995 0 None 33 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672559 57995 0 None 33 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(F)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
70681814 75274 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 4 2 4 5.2 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(C(=O)O)cc21 10.1021/ml200252b
CHEMBL2037126 75274 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 4 2 4 5.2 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(C(=O)O)cc21 10.1021/ml200252b
16737988 105558 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 3 6.0 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1CCC(=O)O 10.1021/jm401456d
CHEMBL3121992 105558 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 3 6.0 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1CCC(=O)O 10.1021/jm401456d
11852048 105569 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 356 4 1 3 5.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1O 10.1021/jm401456d
CHEMBL3122002 105569 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 356 4 1 3 5.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1O 10.1021/jm401456d
127046551 139694 0 None 1 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cnc(C)c(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3798060 139694 0 None 1 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.1 CCc1cc(-c2noc(-c3cnc(C)c(OC4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
11222939 67573 9 None 4 4 Human 7.7 pEC50 = 7.7 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1021/jm050242f
44438254 67573 9 None 4 4 Human 7.7 pEC50 = 7.7 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1021/jm050242f
CHEMBL190006 67573 9 None 4 4 Human 7.7 pEC50 = 7.7 Functional
Agonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligandAgonism of human S1P-1 receptor expressed in CHO cells, 90-120 min in pH 7.4 using [35S]GTP-gamma-S as radioligand
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1021/jm050242f
57398897 69898 0 None 12 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 425 3 1 6 3.7 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938951 69898 0 None 12 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 425 3 1 6 3.7 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
59218029 87597 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336073 87597 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccc(F)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
25182757 6197 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
CHEMBL1081268 6197 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
25182757 6197 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081268 6197 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 10.1016/j.bmcl.2010.01.102
25182774 6125 0 None 11 2 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 364 4 2 5 3.7 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
CHEMBL1080881 6125 0 None 11 2 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 364 4 2 5 3.7 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
25182774 6125 0 None 11 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 364 4 2 5 3.7 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080881 6125 0 None 11 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 364 4 2 5 3.7 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46194745 152772 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 334 11 3 4 2.6 CCCCCCCCc1ccc2c(c1)CCN2CC(N)(CO)CO nan
CHEMBL3973573 152772 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 334 11 3 4 2.6 CCCCCCCCc1ccc2c(c1)CCN2CC(N)(CO)CO nan
25182931 153471 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 7 2 6 2.5 COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C nan
CHEMBL3979559 153471 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 7 2 6 2.5 COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C nan
59446901 145351 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 479 11 2 7 4.3 CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC nan
CHEMBL3913545 145351 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 479 11 2 7 4.3 CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC nan
5296049 50847 12 None 1 2 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 304 2 1 1 5.5 Clc1ccc(/C=C\c2[nH]ccc3c4ccccc4nc2-3)cc1 nan
CHEMBL1577139 50847 12 None 1 2 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 304 2 1 1 5.5 Clc1ccc(/C=C\c2[nH]ccc3c4ccccc4nc2-3)cc1 nan
168279613 190986 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5186304 190986 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
58329579 117603 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 5 1 3 6.6 O=C(O)CC1CCCn2c1cc1cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
CHEMBL3400908 117603 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 471 5 1 3 6.6 O=C(O)CC1CCCn2c1cc1cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 10.1016/j.bmcl.2014.11.089
70687715 74138 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cc(-c2ccc(Oc3ccccc3)cc2)on1 10.1016/j.bmcl.2012.03.067
CHEMBL2022706 74138 0 None - 1 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cc(-c2ccc(Oc3ccccc3)cc2)on1 10.1016/j.bmcl.2012.03.067
118716181 114898 0 None 28 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 486 9 4 7 2.7 NC(CO)(CCc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342006 114898 0 None 28 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 486 9 4 7 2.7 NC(CO)(CCc1ccc(-c2cn(-c3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
118716146 114878 0 None 10 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 10 4 6 3.9 CC(C)c1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341924 114878 0 None 10 2 Human 7.7 pEC50 = 7.7 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 10 4 6 3.9 CC(C)c1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
46885798 8029 0 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 561 10 4 5 5.7 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL1090829 8029 0 None -2 3 Human 7.7 pEC50 = 7.7 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 561 10 4 5 5.7 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
49872507 117608 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 445 6 3 5 4.2 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
CHEMBL3400913 117608 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 445 6 3 5 4.2 N#Cc1cc(COc2ccc3[nH]c4c(c3c2)CCNC4CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
67167733 151812 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 402 6 1 4 4.6 CCCc1ccc(-c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3965275 151812 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 402 6 1 4 4.6 CCCc1ccc(-c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
56948899 148511 0 None -1 2 Human 5.7 pEC50 = 5.7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 392 7 0 5 5.6 COc1cc(OC)cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3938390 148511 0 None -1 2 Human 5.7 pEC50 = 5.7 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 392 7 0 5 5.6 COc1cc(OC)cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
2864688 36432 9 None -2 5 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 473 4 1 4 4.6 NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 nan
CHEMBL1447076 36432 9 None -2 5 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 473 4 1 4 4.6 NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 nan
16196388 53812 0 None -4 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 372 8 3 5 1.7 CNC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 nan
CHEMBL1604216 53812 0 None -4 2 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 372 8 3 5 1.7 CNC(=O)c1[nH]cnc1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1 nan
53324746 57391 0 None 15 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1651854 57391 0 None 15 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100228m
46236929 8974 0 None 6 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 5 0 5 4.6 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1OC 10.1021/jm100181s
CHEMBL1098202 8974 0 None 6 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 5 0 5 4.6 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1OC 10.1021/jm100181s
46236808 8605 0 None -2 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 356 3 1 4 4.4 CC(C)/N=C1\S/C(=C\c2ccc(O)c(F)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1094885 8605 0 None -2 2 Human 6.7 pEC50 = 6.7 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 356 3 1 4 4.4 CC(C)/N=C1\S/C(=C\c2ccc(O)c(F)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
59447034 144661 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 500 11 2 7 3.7 O=C(O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3908286 144661 0 None - 1 Human 6.7 pEC50 = 6.7 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 500 11 2 7 3.7 O=C(O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182898 152385 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 447 9 2 7 2.4 COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 nan
CHEMBL3970356 152385 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 447 9 2 7 2.4 COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 nan
59446980 150576 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 10 2 6 3.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC(CO)C3)cc2C)ncn1 nan
CHEMBL3955061 150576 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 10 2 6 3.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC(CO)C3)cc2C)ncn1 nan
76318197 105762 0 None 53 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 3 9 2.4 CCc1cc(-c2noc(-c3cnc(N4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126609 105762 0 None 53 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 495 10 3 9 2.4 CCc1cc(-c2noc(-c3cnc(N4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
76329077 105784 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 10 3 8 2.1 CCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 10.1021/jm4014696
CHEMBL3126631 105784 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 440 10 3 8 2.1 CCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 10.1021/jm4014696
166559118 191719 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 0 6 4.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5197074 191719 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 0 6 4.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
11222939 67573 9 None 4 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.02.006
44438254 67573 9 None 4 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.02.006
CHEMBL190006 67573 9 None 4 4 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gi dependent whole cell assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.02.006
72793775 104399 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(C)c(C)c1OCCO 10.1021/jm4014373
CHEMBL3102991 104399 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(C)c(C)c1OCCO 10.1021/jm4014373
70689616 73626 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 387 4 2 4 4.3 COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 10.1021/ml2001399
CHEMBL2017804 73626 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 387 4 2 4 4.3 COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 10.1021/ml2001399
23121431 63429 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 383 13 2 4 4.2 COc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
CHEMBL1797502 63429 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 383 13 2 4 4.2 COc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
127047778 139659 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 13 4 8 2.9 CCc1cc(-c2noc(-c3cccc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797853 139659 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 13 4 8 2.9 CCc1cc(-c2noc(-c3cccc(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
127046324 139942 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(CN(C)C)cc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799690 139942 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(CN(C)C)cc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
24744028 86571 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 404 12 3 4 4.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
CHEMBL2315818 86571 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 404 12 3 4 4.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
69143493 104442 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 1 6 4.6 COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(OC)c1OCCO 10.1021/jm4014373
CHEMBL3103669 104442 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 1 6 4.6 COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(OC)c1OCCO 10.1021/jm4014373
59447050 153138 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 388 8 1 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1 nan
CHEMBL3976604 153138 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 388 8 1 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)ncn1 nan
127046097 139937 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3ccc(C)c(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799658 139937 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3ccc(C)c(CNCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
25183061 152185 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 7 2 5 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)ncn1 nan
CHEMBL3968409 152185 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 365 7 2 5 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)ncn1 nan
166559120 192999 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5203930 192999 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5222696 192999 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
57391886 69871 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 5 5.2 CC(c1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
CHEMBL1938923 69871 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 5 5.2 CC(c1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
46881580 7885 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 489 13 3 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1 nan
CHEMBL1090065 7885 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 489 13 3 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1 nan
46881580 7885 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 489 13 3 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1090065 7885 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 489 13 3 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
23121435 63428 0 None 301 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 387 12 2 3 4.8 O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1Cl 10.1016/j.bmcl.2011.05.029
CHEMBL1797501 63428 0 None 301 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 387 12 2 3 4.8 O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1Cl 10.1016/j.bmcl.2011.05.029
57403430 68309 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 403 2 1 5 4.1 FC(F)(F)c1cc(-c2nc(N3CCc4[nH]ncc4C3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916410 68309 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 403 2 1 5 4.1 FC(F)(F)c1cc(-c2nc(N3CCc4[nH]ncc4C3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
57402391 69887 0 None 104 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1021/ml200252b
CHEMBL1938940 69887 0 None 104 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1021/ml200252b
57402391 69887 0 None 104 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938940 69887 0 None 104 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1016/j.bmcl.2011.10.085
53234382 148386 0 None 457 2 Human 7.6 pEC50 = 7.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 431 8 2 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N nan
CHEMBL3937499 148386 0 None 457 2 Human 7.6 pEC50 = 7.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 431 8 2 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N nan
25182769 6263 0 None 7 3 Human 7.6 pEC50 = 7.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 6 2 5 4.3 Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1081645 6263 0 None 7 3 Human 7.6 pEC50 = 7.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 6 2 5 4.3 Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
168268847 192780 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5178933 192780 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5221343 192780 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
59446942 147572 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 313 4 2 5 3.1 O=C(Nc1ccc(O)cc1)c1cc(OC2CCCCC2)ncn1 nan
CHEMBL3930934 147572 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 313 4 2 5 3.1 O=C(Nc1ccc(O)cc1)c1cc(OC2CCCCC2)ncn1 nan
46881876 5599 0 None 3 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 335 13 2 3 4.6 CCCCCCCOc1ccc(CC[C@](C)(N)CCC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1077288 5599 0 None 3 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 335 13 2 3 4.6 CCCCCCCOc1ccc(CC[C@](C)(N)CCC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
44599683 69874 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccn6)CC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938926 69874 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccn6)CC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
11406331 63432 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 9 1 3 4.5 O=C(O)C1CCN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.05.029
CHEMBL1797505 63432 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 9 1 3 4.5 O=C(O)C1CCN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.05.029
57390794 70683 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 446 8 1 4 6.4 O=C(O)CCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950556 70683 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 446 8 1 4 6.4 O=C(O)CCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
3239161 19665 11 None -3 3 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 278 2 0 6 1.1 C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1300662 19665 11 None -3 3 Human 4.6 pEC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 278 2 0 6 1.1 C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
11690779 189713 0 None -1 4 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 442 8 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL515603 189713 0 None -1 4 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 442 8 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
76314626 105785 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 426 9 3 8 1.8 CCc1cc(-c2noc(-c3ccc(C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126632 105785 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 426 9 3 8 1.8 CCc1cc(-c2noc(-c3ccc(C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
59446818 160764 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 11 1 6 4.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC[C@@H]3COC)cc2C)ncn1 nan
CHEMBL4114090 160764 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 11 1 6 4.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC[C@@H]3COC)cc2C)ncn1 nan
168295300 192200 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5204567 192200 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
25182769 6263 0 None 7 3 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 380 6 2 5 4.3 Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081645 6263 0 None 7 3 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 380 6 2 5 4.3 Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
58329617 117602 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 444 6 1 5 5.3 N#Cc1cc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
CHEMBL3400907 117602 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 444 6 1 5 5.3 N#Cc1cc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
11978278 70911 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1CN1CC(C(=O)O)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951307 70911 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(-c2noc(-c3ccc(Oc4ccccc4)cc3)n2)sc1CN1CC(C(=O)O)C1 10.1016/j.bmcl.2011.12.019
70689765 74139 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 477 8 1 7 5.8 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1nnc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022707 74139 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 477 8 1 7 5.8 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1nnc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
127046182 139766 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 402 6 1 7 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)no4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3798560 139766 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 402 6 1 7 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)no4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
70686053 75278 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 535 6 2 5 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CN3CC(C(=O)O)C3)cc21 10.1021/ml200252b
CHEMBL2037130 75278 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 535 6 2 5 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CN3CC(C(=O)O)C3)cc21 10.1021/ml200252b
46224712 200800 0 None 35 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 352 4 0 5 3.9 COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1OC 10.1016/j.bmcl.2009.11.045
CHEMBL600762 200800 0 None 35 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 352 4 0 5 3.9 COc1ccc(/C=C/C(=O)n2nc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1OC 10.1016/j.bmcl.2009.11.045
70694773 76406 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)cn1 10.1021/jm2016107
CHEMBL2059528 76406 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)cn1 10.1021/jm2016107
70688545 76436 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 479 9 1 6 6.0 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059677 76436 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 479 9 1 6 6.0 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
44547175 73690 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 457 7 1 6 5.5 CC(C)Oc1ccc(-c2nc(-c3c(F)ccc4c(CCC(=O)O)cn(C)c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018330 73690 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 457 7 1 6 5.5 CC(C)Oc1ccc(-c2nc(-c3c(F)ccc4c(CCC(=O)O)cn(C)c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44129140 116420 0 None 251 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 376 4 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360368 116420 0 None 251 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 376 4 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1C#N 10.1021/jm5010336
44128905 116422 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 3.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360370 116422 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 374 4 1 6 3.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N 10.1021/jm5010336
10883396 3647 45 None -1 15 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
5283560 3647 45 None -1 15 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
911 3647 45 None -1 15 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
CHEMBL225155 3647 45 None -1 15 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
118716145 114877 0 None 16 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341923 114877 0 None 16 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
118716152 114885 0 None 34 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 462 11 4 7 2.7 COc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341930 114885 0 None 34 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 462 11 4 7 2.7 COc1ccc(Cc2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
166559138 192917 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5196884 192917 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222202 192917 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
57397320 67907 0 None -4 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 357 3 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910688 67907 0 None -4 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 357 3 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
136374640 151259 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 439 3 1 5 6.3 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 nan
CHEMBL3960272 151259 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 439 3 1 5 6.3 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 nan
46236662 8771 0 None -1 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 10.1021/jm100181s
CHEMBL1096478 8771 0 None -1 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 10.1021/jm100181s
70684294 76437 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 445 9 1 6 5.7 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
CHEMBL2059678 76437 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 445 9 1 6 5.7 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
56599785 167658 0 None -12 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 487 7 2 5 4.4 O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4205748 167658 0 None -12 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 487 7 2 5 4.4 O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4301854 167658 0 None -12 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 487 7 2 5 4.4 O=P(O)(O)OCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
3212805 73160 4 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011717 73160 4 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70689432 73167 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 387 5 0 4 5.1 O=C(c1ccc(Cl)cc1)N(CC1CC1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011729 73167 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 387 5 0 4 5.1 O=C(c1ccc(Cl)cc1)N(CC1CC1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
70689433 73173 0 None 10 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 556 11 2 7 4.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011735 73173 0 None 10 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 556 11 2 7 4.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 10.1016/j.bmcl.2012.02.016
70691541 73183 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 445 6 0 5 6.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3ccoc23)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011745 73183 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 445 6 0 5 6.4 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3ccoc23)s1 10.1016/j.bmcl.2012.02.016
24824717 120855 0 None 6 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 496 6 1 7 6.1 O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 10.1021/jm5010336
CHEMBL3360358 120855 0 None 6 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 496 6 1 7 6.1 O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 10.1021/jm5010336
CHEMBL3558705 120855 0 None 6 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 496 6 1 7 6.1 O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)c1 10.1021/jm5010336
70686431 76404 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 417 9 1 5 5.2 CCc1c(CCCC(=O)O)cccc1-c1ccn(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2059524 76404 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 417 9 1 5 5.2 CCc1c(CCCC(=O)O)cccc1-c1ccn(-c2ccc(OC(C)C)c(C#N)c2)n1 10.1021/jm2016107
70685211 73181 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 444 6 1 4 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc3cc[nH]c3c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011743 73181 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 444 6 1 4 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc3cc[nH]c3c2)s1 10.1016/j.bmcl.2012.02.016
44128748 116382 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 441 6 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359838 116382 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 441 6 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
76322127 106090 0 None 6 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 491 11 4 5 4.5 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(Cl)cc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133705 106090 0 None 6 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 491 11 4 5 4.5 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(Cl)cc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
118716186 114903 0 None 5 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 443 9 4 8 1.5 N#Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342011 114903 0 None 5 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 443 9 4 8 1.5 N#Cc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
46236661 8574 0 None 1 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 10.1021/jm100181s
CHEMBL1094699 8574 0 None 1 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 402 4 1 5 4.9 COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1 10.1021/jm100181s
44624068 116271 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 5 2 2 6.3 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358905 116271 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 457 5 2 2 6.3 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 10.1021/ml500389m
53322737 58000 0 None 93 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1ccccc1Cc1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1 10.1021/ml100228m
CHEMBL1672564 58000 0 None 93 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1ccccc1Cc1ccc2sc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)nc2c1 10.1021/ml100228m
46224714 199255 0 None 12 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 360 2 0 3 4.9 Cc1nn(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL590134 199255 0 None 12 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 360 2 0 3 4.9 Cc1nn(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
86646444 139797 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 459 10 3 9 2.3 CCc1cc(-c2noc(-c3cc(C)c(C=O)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798772 139797 0 None - 1 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 459 10 3 9 2.3 CCc1cc(-c2noc(-c3cc(C)c(C=O)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
11484624 58440 0 None 3 2 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 341 12 2 3 3.7 O=C(O)CCNCCCc1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683042 58440 0 None 3 2 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 341 12 2 3 3.7 O=C(O)CCNCCCc1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
25183063 153537 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 381 9 1 5 3.7 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1 nan
CHEMBL3980030 153537 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 381 9 1 5 3.7 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1 nan
59447026 147614 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 409 9 2 6 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC3COC(=O)N3)cc2)ncn1 nan
CHEMBL3931249 147614 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 409 9 2 6 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC3COC(=O)N3)cc2)ncn1 nan
25182919 154334 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 507 10 1 7 5.1 CN(CC(=O)OC(C)(C)C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3986819 154334 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 507 10 1 7 5.1 CN(CC(=O)OC(C)(C)C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
44422573 85554 0 None 2 4 Human 7.6 pEC50 = 7.6 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL227851 85554 0 None 2 4 Human 7.6 pEC50 = 7.6 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
76318445 106074 0 None 12 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 496 11 4 7 4.1 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)cc2)co1 10.1039/C3MD00079F
CHEMBL3133601 106074 0 None 12 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 496 11 4 7 4.1 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)cc2)co1 10.1039/C3MD00079F
2926 3593 78 None -1 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2011.10.085
4077460 3593 78 None -1 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2011.10.085
CHEMBL224720 3593 78 None -1 3 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2011.10.085
127047144 139568 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3ccc(CNCC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797256 139568 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 4 8 3.2 CCc1cc(-c2noc(-c3ccc(CNCC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
23121526 58442 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 383 15 2 3 4.9 O=C(O)CCNCCCc1ccc(OCCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683044 58442 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 383 15 2 3 4.9 O=C(O)CCNCCCc1ccc(OCCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
25182765 7518 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087282 7518 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 nan
25182765 7518 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1087282 7518 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
57390144 69879 0 None 2 2 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 457 5 1 6 3.8 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCSC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938932 69879 0 None 2 2 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 457 5 1 6 3.8 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCSC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
57402192 69756 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 396 7 2 4 3.5 CC(C)(C)c1ccc(COc2ccc(CCC3(C(N)=O)COC(=O)N3)cc2)cc1 10.1016/j.bmcl.2011.10.088
CHEMBL1935666 69756 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 396 7 2 4 3.5 CC(C)(C)c1ccc(COc2ccc(CCC3(C(N)=O)COC(=O)N3)cc2)cc1 10.1016/j.bmcl.2011.10.088
57402390 69878 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 467 5 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCCCCC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938930 69878 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 467 5 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C(=O)N5CCCCCC5)cc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
59446982 153672 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]cnc3c2)ncn1 nan
CHEMBL3981250 153672 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]cnc3c2)ncn1 nan
1160618 30805 1 None -2 2 Human 6.6 pEC50 = 6.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 389 6 0 6 4.9 O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)C1CCCCC1 nan
CHEMBL1396471 30805 1 None -2 2 Human 6.6 pEC50 = 6.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 389 6 0 6 4.9 O=C(CSc1nnc(-c2ccco2)o1)N(C1CCCCC1)C1CCCCC1 nan
59446854 145786 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 1 7 2.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(-n3cncn3)cc2)ncn1 nan
CHEMBL3916874 145786 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 1 7 2.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(-n3cncn3)cc2)ncn1 nan
168290875 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5201117 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222534 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
127046183 140074 0 None 56 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 518 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3800496 140074 0 None 56 2 Human 7.6 pEC50 = 7.6 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 518 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(OC)nc(-c4ccccc4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
69145858 104439 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 8 1 5 4.5 COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO 10.1021/jm4014373
CHEMBL3103666 104439 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 8 1 5 4.5 COc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO 10.1021/jm4014373
23121067 63427 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.5 Cc1cc(/C=C/CNCCC(=O)O)ccc1OCCCCc1ccccc1 10.1016/j.bmcl.2011.05.029
CHEMBL1797500 63427 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.5 Cc1cc(/C=C/CNCCC(=O)O)ccc1OCCCCc1ccccc1 10.1016/j.bmcl.2011.05.029
46225284 201180 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 368 3 0 3 5.5 Cc1nn(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL603442 201180 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 368 3 0 3 5.5 Cc1nn(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
56948656 150044 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 468 5 0 3 7.6 FC(F)(F)c1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc(C(F)(F)F)c1 nan
CHEMBL3950575 150044 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 468 5 0 3 7.6 FC(F)(F)c1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc(C(F)(F)F)c1 nan
11553135 104433 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 401 7 2 5 3.7 COc1cc(OCCO)ccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103660 104433 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 401 7 2 5 3.7 COc1cc(OCCO)ccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
46236398 8558 0 None -2 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 380 7 1 4 5.3 CCCCCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1094502 8558 0 None -2 2 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 380 7 1 4 5.3 CCCCCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
57394406 70671 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 390 4 1 4 5.3 O=C(O)c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950482 70671 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 390 4 1 4 5.3 O=C(O)c1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
168290875 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5201117 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222534 192972 0 None - 1 Human 6.6 pEC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 1 5 4.1 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CCC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
56835157 69753 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 362 12 2 4 3.3 CCCCCCCCOc1ccc(CCC2(C(N)=O)COC(=O)N2)cc1 10.1016/j.bmcl.2011.10.088
CHEMBL1935663 69753 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 362 12 2 4 3.3 CCCCCCCCOc1ccc(CCC2(C(N)=O)COC(=O)N2)cc1 10.1016/j.bmcl.2011.10.088
59446847 153736 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 435 9 1 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1 nan
CHEMBL3981793 153736 0 None - 1 Human 5.6 pEC50 = 5.6 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 435 9 1 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)N(C)C)c2)ncn1 nan
127047779 139698 0 None 30 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798098 139698 0 None 30 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
166559081 190306 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 5 0 5 4.5 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(C(C)(C)C)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5176091 190306 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 5 0 5 4.5 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(C(C)(C)C)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
25182924 143544 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 11 3 6 4.2 CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)O nan
CHEMBL3899042 143544 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 11 3 6 4.2 CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)O nan
57398998 67910 0 None -7 3 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 375 3 0 4 4.0 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910691 67910 0 None -7 3 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 375 3 0 4 4.0 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccc(F)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
24850258 57989 0 None -2 2 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.3 O=C(O)C1CN(Cc2ccc(-n3cc4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672553 57989 0 None -2 2 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.3 O=C(O)C1CN(Cc2ccc(-n3cc4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 10.1021/ml100228m
118716184 114901 0 None 17 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 10 4 7 2.8 CC(C)c1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342009 114901 0 None 17 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 10 4 7 2.8 CC(C)c1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
57395371 69888 0 None 87 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938941 69888 0 None 87 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 10.1016/j.bmcl.2011.10.085
168282073 190741 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 8 1 5 3.8 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5182813 190741 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 8 1 5 3.8 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
44412604 138404 0 None 10 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)cs1 10.1016/j.bmcl.2006.04.064
CHEMBL377339 138404 0 None 10 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 405 7 1 4 6.1 Cc1cc(CCC(=O)O)ccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)cs1 10.1016/j.bmcl.2006.04.064
49872790 117609 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 420 6 3 4 4.3 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(OC(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3400914 117609 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 420 6 3 4 4.3 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3cccc(OC(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
57395374 69892 0 None -1 2 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938945 69892 0 None -1 2 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
59446946 153854 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 301 5 2 5 2.9 CCC(C)Oc1cc(C(=O)Nc2ccc(O)cc2C)ncn1 nan
CHEMBL3982822 153854 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 301 5 2 5 2.9 CCC(C)Oc1cc(C(=O)Nc2ccc(O)cc2C)ncn1 nan
127046864 139877 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 12 4 9 2.3 CCNCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)s1 10.1016/j.ejmech.2016.03.048
CHEMBL3799299 139877 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 12 4 9 2.3 CCNCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)s1 10.1016/j.ejmech.2016.03.048
57391213 68306 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 512 7 0 7 6.1 COC(=O)CCCCn1cc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2n1 10.1016/j.bmcl.2011.05.110
CHEMBL1916407 68306 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 512 7 0 7 6.1 COC(=O)CCCCn1cc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2n1 10.1016/j.bmcl.2011.05.110
25154344 6538 0 None 20 3 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1082869 6538 0 None 20 3 Human 8.5 pEC50 = 8.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
45377938 84123 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 480 10 1 7 4.2 CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207786 84123 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 480 10 1 7 4.2 CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
25154344 6538 0 None 20 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1082869 6538 0 None 20 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46881623 6761 0 None -5 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 477 9 2 6 4.1 Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1083828 6761 0 None -5 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 477 9 2 6 4.1 Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46881623 6761 0 None -5 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assayAgonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay
ChEMBL 477 9 2 6 4.1 Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1083828 6761 0 None -5 3 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assayAgonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay
ChEMBL 477 9 2 6 4.1 Cc1cc(CN2CC(C(=O)O)C2)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
57396172 70670 0 None 512 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 433 7 2 5 4.8 O=C(O)CNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950481 70670 0 None 512 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 433 7 2 5 4.8 O=C(O)CNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57403053 70690 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 5.1 O=C(O)CCNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950563 70690 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 5.1 O=C(O)CCNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
57392652 70703 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.3 C[C@](N)(CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
CHEMBL1950575 70703 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 461 7 2 5 5.3 C[C@](N)(CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)C(=O)O 10.1016/j.bmcl.2011.12.073
57391849 70916 0 None 1479 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.6 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951312 70916 0 None 1479 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.6 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C)cc2)n1 10.1016/j.bmcl.2011.12.019
57398802 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935575 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1962532 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1016/j.bmcl.2011.11.048
57398802 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL1935575 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL1962532 71489 0 None 1659 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 391 8 1 3 4.4 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 10.1021/acs.jmedchem.7b00785
11503306 158913 0 None 1318 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.2 COc1cc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)ccc1CC(C)C 10.1021/acs.jmedchem.7b00785
CHEMBL4095501 158913 0 None 1318 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.2 COc1cc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)ccc1CC(C)C 10.1021/acs.jmedchem.7b00785
118707193 113038 0 None 58 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 449 12 3 5 3.9 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311348 113038 0 None 58 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 449 12 3 5 3.9 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 10.1016/j.bmc.2014.05.035
46206106 7804 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 10 4 5 4.7 Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)c(F)c2)cc1 10.1021/jm901776q
CHEMBL1089475 7804 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 491 10 4 5 4.7 Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)c(F)c2)cc1 10.1021/jm901776q
72793715 104451 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 328 2 0 3 4.1 Cc1nn(C(=O)/C=C/c2cc(F)ccc2F)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3103683 104451 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 328 2 0 3 4.1 Cc1nn(C(=O)/C=C/c2cc(F)ccc2F)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
46205452 7833 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 12 4 5 3.9 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1Cl 10.1021/jm901776q
CHEMBL1089564 7833 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 457 12 4 5 3.9 CCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1Cl 10.1021/jm901776q
168277311 192839 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5174924 192839 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5221692 192839 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 417 7 1 7 3.1 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1C#N 10.1021/acs.jmedchem.1c01979
49848655 76399 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 419 9 1 6 5.0 CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1021/jm2016107
CHEMBL2059519 76399 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 419 9 1 6 5.0 CCc1c(CCCC(=O)O)cccc1-c1nnc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1021/jm2016107
49848898 76400 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 5 6.1 CCc1c(CCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
CHEMBL2059520 76400 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 5 6.1 CCc1c(CCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
44548224 73675 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 421 9 2 6 4.7 CCOc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OCC 10.1016/j.bmcl.2012.02.083
CHEMBL2018309 73675 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 421 9 2 6 4.7 CCOc1ccc(-c2nc(-c3cccc4c(CCC(=O)O)c[nH]c34)no2)cc1OCC 10.1016/j.bmcl.2012.02.083
53492750 65964 0 None 6 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 448 7 2 8 3.1 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C(CO)CO)C2 10.1021/jm200609t
CHEMBL1836215 65964 0 None 6 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 448 7 2 8 3.1 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C(CO)CO)C2 10.1021/jm200609t
59549234 75778 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)ccc1OC(F)(F)F 10.1016/j.bmcl.2012.04.129
CHEMBL2048290 75778 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)ccc1OC(F)(F)F 10.1016/j.bmcl.2012.04.129
44412868 79762 0 None 812 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 406 6 1 5 4.8 COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 10.1016/j.bmcl.2006.04.084
CHEMBL211806 79762 0 None 812 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 406 6 1 5 4.8 COc1ccc(-c2nc(-c3ccc(CCC(=O)O)cc3C)no2)cc1C(F)(F)F 10.1016/j.bmcl.2006.04.084
70681385 74162 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(Cl)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022908 74162 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(Cl)c2)s1 10.1016/j.bmcl.2012.03.067
46846921 139798 0 None 549 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 442 7 1 7 4.5 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3798775 139798 0 None 549 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 442 7 1 7 4.5 O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
127048142 139830 0 None 173 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 525 13 3 9 2.9 CCc1cc(-c2noc(-c3cc(C)nc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799026 139830 0 None 173 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 525 13 3 9 2.9 CCc1cc(-c2noc(-c3cc(C)nc(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
11466640 85088 0 None 8 3 Human 8.5 pEC50 = 8.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 525 7 1 4 6.3 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 10.1021/jm0492507
CHEMBL224599 85088 0 None 8 3 Human 8.5 pEC50 = 8.5 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 525 7 1 4 6.3 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 10.1021/jm0492507
58329615 117954 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 461 7 1 4 6.4 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
CHEMBL3403623 117954 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 461 7 1 4 6.4 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2014.11.089
11854356 104687 0 None 169 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 475 9 1 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNS(C)(=O)=O 10.1021/jm4014373
CHEMBL3105246 104687 0 None 169 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 475 9 1 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNS(C)(=O)=O 10.1021/jm4014373
44138103 75781 0 None 2 4 Rat 8.5 pEC50 = 8.5 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None 2 4 Rat 8.5 pEC50 = 8.5 Functional
Agonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against rat S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
44412812 79864 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 8 1 6 4.9 CCCOc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
CHEMBL212266 79864 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 8 1 6 4.9 CCCOc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
11624780 77940 0 None 354 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 7 1 5 4.3 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)cn2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL209566 77940 0 None 354 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 7 1 5 4.3 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)cn2)n1 10.1016/j.bmcl.2006.04.084
60150588 74157 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 456 8 1 6 5.7 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022903 74157 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 456 8 1 6 5.7 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
70696096 74158 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.0 CCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
CHEMBL2022904 74158 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.0 CCc1cc(-c2cnc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
11852144 105573 0 None 323 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@H](O)CO 10.1021/jm401456d
CHEMBL3122006 105573 0 None 323 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OC[C@H](O)CO 10.1021/jm401456d
72793791 104716 0 None 257 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 7 1 4 4.9 CNC(=O)COc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
CHEMBL3105488 104716 0 None 257 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 7 1 4 4.9 CNC(=O)COc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
70693975 74163 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 440 7 1 5 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(C(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022909 74163 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 440 7 1 5 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(C(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
67193896 156341 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 10 1 4 5.4 CCCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4065871 156341 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 10 1 4 5.4 CCCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
72793790 104708 0 None 100 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 527 13 3 6 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(CC(=O)O)C(=O)O 10.1021/jm4014373
CHEMBL3105480 104708 0 None 100 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 527 13 3 6 5.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCNC(CC(=O)O)C(=O)O 10.1021/jm4014373
44218451 139615 0 None 1230 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 522 12 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN1CCCC1 10.1016/j.ejmech.2016.03.048
CHEMBL3797541 139615 0 None 1230 2 Human 8.5 pEC50 = 8.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 522 12 3 8 3.3 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1CN1CCCC1 10.1016/j.ejmech.2016.03.048
46195745 149438 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 458 8 3 8 2.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3945943 149438 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 458 8 3 8 2.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
44422601 85579 0 None 8 5 Human 8.4 pEC50 = 8.4 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 398 14 4 3 4.2 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL228139 85579 0 None 8 5 Human 8.4 pEC50 = 8.4 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 398 14 4 3 4.2 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
46206105 8233 0 None 1 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 477 10 4 5 4.4 NC(CO)(CCc1ccc(-c2ccc(Sc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1092286 8233 0 None 1 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 477 10 4 5 4.4 NC(CO)(CCc1ccc(-c2ccc(Sc3ccccc3)cc2F)cc1)COP(=O)(O)O 10.1021/jm901776q
44219369 139952 0 None 346 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799748 139952 0 None 346 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 12 3 8 2.9 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44624204 116280 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 429 6 2 2 6.1 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358914 116280 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 429 6 2 2 6.1 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
168268806 192775 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5172303 192775 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221289 192775 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 426 7 1 6 3.9 CC(C)Oc1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1Cl 10.1021/acs.jmedchem.1c01979
72793716 104443 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 324 4 0 4 3.8 COc1ccccc1CCC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103670 104443 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 324 4 0 4 3.8 COc1ccccc1CCC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
76318200 105783 0 None 741 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccc(C(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126630 105783 0 None 741 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccc(C(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
70692732 76401 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 433 9 1 4 6.7 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
CHEMBL2059521 76401 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 433 9 1 4 6.7 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)s1 10.1021/jm2016107
49848777 76429 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 444 9 1 5 6.3 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
CHEMBL2059669 76429 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 444 9 1 5 6.3 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
54576499 76448 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 471 8 1 6 5.4 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
CHEMBL2059689 76448 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 471 8 1 6 5.4 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(Cl)c2)n1 10.1021/jm2016107
44128909 116389 0 None 501 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CC(=O)O)CC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359845 116389 0 None 501 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CC(=O)O)CC4)no2)cc1C#N 10.1021/jm5010336
57505996 116416 1 None 7943 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 360 4 1 6 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360364 116416 1 None 7943 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 360 4 1 6 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCNC4)no2)cc1C#N 10.1021/jm5010336
44422579 85578 0 None 1 3 Human 7.5 pEC50 = 7.5 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 356 13 4 3 3.9 CCCCCCCCc1cccc(NC[C@H](N)CCP(=O)(O)O)c1 10.1016/j.bmc.2006.10.060
CHEMBL228138 85578 0 None 1 3 Human 7.5 pEC50 = 7.5 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 356 13 4 3 3.9 CCCCCCCCc1cccc(NC[C@H](N)CCP(=O)(O)O)c1 10.1016/j.bmc.2006.10.060
57400134 70895 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 417 6 1 6 4.6 O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951149 70895 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 417 6 1 6 4.6 O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
57395297 70909 0 None 426 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 9 1 7 5.7 CCCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951305 70909 0 None 426 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 9 1 7 5.7 CCCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
134319265 167252 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 452 8 3 6 4.2 CCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
CHEMBL4292752 167252 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]GTPgammaS binding assay
ChEMBL 452 8 3 6 4.2 CCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)cc1CC2 10.1039/C6MD00539J
53326886 57999 0 None 32 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672563 57999 0 None 32 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)c(F)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
11609496 104445 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 323 4 0 3 4.4 COc1ccccc1CCC(=O)n1cc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103672 104445 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 323 4 0 3 4.4 COc1ccccc1CCC(=O)n1cc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
166559138 192917 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5196884 192917 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222202 192917 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 378 7 1 4 4.0 CCCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
70696095 74152 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
CHEMBL2022899 74152 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
57570492 87615 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 402 10 2 4 4.9 C/C(=N\OCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336091 87615 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 402 10 2 4 4.9 C/C(=N\OCc1ccc(-c2ccccc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
67415695 104713 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 4 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)O 10.1021/jm4014373
CHEMBL3105485 104713 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 7 1 4 5.2 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)O 10.1021/jm4014373
107970 1637 83 None -30 4 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.088
2407 1637 83 None -30 4 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.088
4167 1637 83 None -30 4 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.088
CHEMBL314854 1637 83 None -30 4 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.088
DB08868 1637 83 None -30 4 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2011.10.088
57390238 67901 0 None -6 3 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 377 2 0 4 4.4 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910680 67901 0 None -6 3 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 377 2 0 4 4.4 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
127047780 139704 0 None 14 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C 10.1016/j.ejmech.2016.03.048
CHEMBL3798148 139704 0 None 14 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C 10.1016/j.ejmech.2016.03.048
127046641 139840 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 13 4 8 2.6 CCCNCc1cccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
CHEMBL3799112 139840 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 13 4 8 2.6 CCCNCc1cccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
46236522 8927 0 None 7 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 420 3 1 4 5.9 Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1097809 8927 0 None 7 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 420 3 1 4 5.9 Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
44517795 68299 0 None -6 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916399 68299 0 None -6 5 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 472 6 1 7 3.9 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)c1 10.1016/j.bmcl.2011.05.110
46195321 150822 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 440 9 3 9 1.9 CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OC nan
CHEMBL3956943 150822 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 440 9 3 9 1.9 CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OC nan
70690589 76407 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 428 9 1 4 6.0 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nc1 10.1021/jm2016107
CHEMBL2059529 76407 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 428 9 1 4 6.0 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nc1 10.1021/jm2016107
70692743 76427 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 428 9 1 4 6.0 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cn1 10.1021/jm2016107
CHEMBL2059663 76427 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 428 9 1 4 6.0 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cn1 10.1021/jm2016107
70683137 73176 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 8 0 5 5.7 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CN(C)C)cc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011738 73176 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 8 0 5 5.7 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CN(C)C)cc2)s1 10.1016/j.bmcl.2012.02.016
70695742 73179 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 478 6 1 4 6.8 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]cc(Cl)c23)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011741 73179 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 478 6 1 4 6.8 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3[nH]cc(Cl)c23)s1 10.1016/j.bmcl.2012.02.016
25022329 120852 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(cnn4CCC(=O)O)c3)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360359 120852 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(cnn4CCC(=O)O)c3)no2)cc1Cl 10.1021/jm5010336
CHEMBL3558571 120852 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 426 7 1 7 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(cnn4CCC(=O)O)c3)no2)cc1Cl 10.1021/jm5010336
57400586 69894 0 None 8 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938947 69894 0 None 8 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
127046095 139786 0 None 9 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C 10.1016/j.ejmech.2016.03.048
CHEMBL3798722 139786 0 None 9 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C 10.1016/j.ejmech.2016.03.048
69144893 104437 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 1 6 4.6 COc1cc(OCCO)cc(OC)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103664 104437 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 430 9 1 6 4.6 COc1cc(OCCO)cc(OC)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
327045 178763 19 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 339 4 0 5 2.4 O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1 nan
CHEMBL46874 178763 19 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 339 4 0 5 2.4 O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCCC1 nan
3093171 46076 13 None -1 4 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
CHEMBL1533401 46076 13 None -1 4 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
59447037 147106 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 460 12 2 7 2.7 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)O)cc2)ncn1 nan
CHEMBL3927419 147106 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 460 12 2 7 2.7 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)O)cc2)ncn1 nan
168279613 190986 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5186304 190986 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 5 0 6 3.8 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(C)(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
16196420 38945 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 406 8 3 5 1.9 CNC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 nan
CHEMBL1467763 38945 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 406 8 3 5 1.9 CNC(=O)c1[nH]cnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 nan
66655836 167557 0 None -39 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.1 Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 10.1016/j.bmcl.2017.12.018
CHEMBL4213167 167557 0 None -39 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.1 Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 10.1016/j.bmcl.2017.12.018
CHEMBL4300404 167557 0 None -39 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 6 1 4 5.1 Cc1cc(Cl)c(COc2ccc3c(c2)OCC32CCN(CCC(=O)O)CC2)c(Cl)c1 10.1016/j.bmcl.2017.12.018
66655306 167618 0 None -2 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 469 6 1 4 5.1 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4208787 167618 0 None -2 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 469 6 1 4 5.1 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4301342 167618 0 None -2 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 469 6 1 4 5.1 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3C(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
56601980 167684 0 None -19 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 4.9 CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4205225 167684 0 None -19 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 4.9 CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 10.1016/j.bmcl.2017.12.018
CHEMBL4302166 167684 0 None -19 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 443 7 1 4 4.9 CCc1cccc(Cl)c1COc1ccc2c(c1)OCC21CCN(CC(C)C(=O)O)CC1 10.1016/j.bmcl.2017.12.018
70693630 73153 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011710 73153 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 356 6 0 5 4.2 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
44128821 116423 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360371 116423 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCNC4)no2)cc1Cl 10.1021/jm5010336
44125469 116428 0 None 25 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 427 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360376 116428 0 None 25 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 427 7 1 6 4.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
70693847 73678 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 367 5 2 4 4.6 O=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12 10.1016/j.bmcl.2012.02.083
CHEMBL2018313 73678 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 367 5 2 4 4.6 O=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12 10.1016/j.bmcl.2012.02.083
25182916 150613 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 394 7 2 6 3.4 COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 nan
CHEMBL3955296 150613 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 394 7 2 6 3.4 COCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 nan
16737514 57353 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 386 8 1 6 4.3 CCCCOc1ccc2oc(-c3ncc(CN4CC(C(=O)O)C4)s3)cc2c1 10.1021/ml100227q
CHEMBL1651710 57353 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 386 8 1 6 4.3 CCCCOc1ccc2oc(-c3ncc(CN4CC(C(=O)O)C4)s3)cc2c1 10.1021/ml100227q
56949017 144786 0 None -2 2 Human 5.5 pEC50 = 5.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 480 7 0 5 7.1 Clc1ncn(Cc2cccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)c2)c1Cl nan
CHEMBL3909228 144786 0 None -2 2 Human 5.5 pEC50 = 5.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 480 7 0 5 7.1 Clc1ncn(Cc2cccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)c2)c1Cl nan
67171587 153093 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 345 2 1 3 4.6 OCc1ccc2c(c1)CCc1c-2noc1-c1cccc(C(F)(F)F)c1 nan
CHEMBL3976201 153093 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 345 2 1 3 4.6 OCc1ccc2c(c1)CCc1c-2noc1-c1cccc(C(F)(F)F)c1 nan
53322715 57987 0 None 1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 416 6 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672550 57987 0 None 1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 416 6 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100228m
59446865 150748 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 408 9 2 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)O)c2)ncn1 nan
CHEMBL3956389 150748 0 None - 1 Human 5.5 pEC50 = 5.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 408 9 2 7 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(cnn3CC(=O)O)c2)ncn1 nan
25182922 152995 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 448 8 2 6 3.7 O=C(Nc1ccc(CN2CCNCC2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3975379 152995 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 448 8 2 6 3.7 O=C(Nc1ccc(CN2CCNCC2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
76322128 106093 0 None 6 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 473 11 4 6 3.9 COc1cccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c1 10.1039/C3MD00079F
CHEMBL3133708 106093 0 None 6 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 473 11 4 6 3.9 COc1cccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c1 10.1039/C3MD00079F
46881537 7323 0 None 169 2 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 nan
CHEMBL1086157 7323 0 None 169 2 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 nan
25183065 152835 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 12 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(=O)O)cc2C)ncn1 nan
CHEMBL3974061 152835 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 12 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(=O)O)cc2C)ncn1 nan
44422578 85577 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 358 13 3 3 3.9 CCCCCCCCc1ccc(OC[C@@H](O)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL228137 85577 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 358 13 3 3 3.9 CCCCCCCCc1ccc(OC[C@@H](O)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
46881537 7323 0 None 169 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1086157 7323 0 None 169 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
23121374 58444 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C\c1ccc(OCCCc2ccccc2)cc1)CNCCC(=O)O 10.1016/j.bmcl.2011.01.029
CHEMBL1683046 58444 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C\c1ccc(OCCCc2ccccc2)cc1)CNCCC(=O)O 10.1016/j.bmcl.2011.01.029
53326641 57996 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672560 57996 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
56948781 145649 0 None 17 2 Human 6.5 pEC50 = 6.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1F nan
CHEMBL3915834 145649 0 None 17 2 Human 6.5 pEC50 = 6.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1F nan
67171391 151713 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 nan
CHEMBL3964377 151713 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 nan
1522831 37553 18 None 1 2 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 376 2 0 6 4.3 Cn1c(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)nc2ccccc21 nan
CHEMBL1456255 37553 18 None 1 2 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 376 2 0 6 4.3 Cn1c(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)nc2ccccc21 nan
57400714 67908 0 None 1 3 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 375 3 0 4 4.0 C/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910689 67908 0 None 1 3 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 375 3 0 4 4.0 C/N=C1\S/C(=C\c2cc(C)n(Cc3c(F)cccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
57400136 70898 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2csc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)c2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951153 70898 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2csc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)c2)C1 10.1016/j.bmcl.2011.12.019
11869937 199155 8 None 75 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 292 2 0 3 3.8 Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL589402 199155 8 None 75 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 292 2 0 3 3.8 Cc1nn(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
24956675 8634 0 None 4 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1095152 8634 0 None 4 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
72793820 104692 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 456 6 2 7 4.9 Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)s2)cc(C)c1OCC(O)CO 10.1021/jm4014373
CHEMBL3105251 104692 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 456 6 2 7 4.9 Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)s2)cc(C)c1OCC(O)CO 10.1021/jm4014373
46195602 146639 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 472 10 3 8 3.3 CCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3923488 146639 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 472 10 3 8 3.3 CCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
166559140 192970 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5201690 192970 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222521 192970 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 5 1 4 4.4 CC(C)(C)c1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
166559088 190144 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 419 7 1 6 3.7 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C#N 10.1021/acs.jmedchem.1c01979
CHEMBL5173606 190144 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 419 7 1 6 3.7 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C#N 10.1021/acs.jmedchem.1c01979
76322117 106081 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 449 13 4 4 4.1 CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133608 106081 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 449 13 4 4 4.1 CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
118716155 114888 0 None 3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 500 10 4 6 3.7 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341933 114888 0 None 3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 500 10 4 6 3.7 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
46237178 8922 0 None -3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 423 8 0 5 4.9 CC(C)/N=C1\S/C(=C\c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097803 8922 0 None -3 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 423 8 0 5 4.9 CC(C)/N=C1\S/C(=C\c2ccc(OCCCN(C)C)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
46195170 143205 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1OCC nan
CHEMBL3896342 143205 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1OCC nan
59446966 146438 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 8 1 7 3.9 O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3922002 146438 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 8 1 7 3.9 O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
166559120 192999 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5203930 192999 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5222696 192999 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 337 5 1 5 2.5 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
166559054 191337 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 433 7 0 7 3.8 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C#N)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5191622 191337 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 433 7 0 7 3.8 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C#N)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
46236272 8596 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 398 3 1 4 5.5 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1 10.1021/jm100181s
CHEMBL1094834 8596 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 398 3 1 4 5.5 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCC2)N1c1ccccc1 10.1021/jm100181s
25182923 7886 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090066 7886 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
76325748 106089 0 None 33 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 475 11 4 5 3.9 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(F)cc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133704 106089 0 None 33 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 475 11 4 5 3.9 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccc(F)cc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
25182923 7886 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1090066 7886 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
54764919 69899 40 None 123 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 415 4 2 4 4.7 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL1938952 69899 40 None 123 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 415 4 2 4 4.7 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1021/ml2001399
57394951 70902 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1ccccc1Oc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951157 70902 0 None 57 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1ccccc1Oc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 10.1016/j.bmcl.2011.12.019
70685582 74155 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022901 74155 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1cnc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
54764919 69899 40 None 123 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 415 4 2 4 4.7 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2011.10.085
CHEMBL1938952 69899 40 None 123 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 415 4 2 4 4.7 COc1ccncc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2011.10.085
24957028 8926 0 None 3 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 406 3 1 4 5.6 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 10.1021/jm100181s
CHEMBL1097808 8926 0 None 3 2 Human 7.5 pEC50 = 7.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 406 3 1 4 5.6 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 10.1021/jm100181s
16737667 57342 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 363 7 1 3 5.0 CCCCc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
CHEMBL1651700 57342 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 363 7 1 3 5.0 CCCCc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
46236664 8525 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 373 3 1 5 4.3 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1 10.1021/jm100181s
CHEMBL1094247 8525 0 None -1 2 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 373 3 1 5 4.3 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1cccnc1 10.1021/jm100181s
25182905 5576 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 8 2 6 2.3 CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
CHEMBL1076743 5576 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 8 2 6 2.3 CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
42630194 75775 0 None -3 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -3 5 Human 7.4 pEC50 = 7.4 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
25182905 5576 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 391 8 2 6 2.3 CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1076743 5576 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 391 8 2 6 2.3 CCCN(CCC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 10.1016/j.bmcl.2010.01.102
44599687 70689 0 None 194 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 5.9 O=C(O)CCCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950562 70689 0 None 194 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 447 8 2 5 5.9 O=C(O)CCCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
23121436 63430 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.5 Cc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
CHEMBL1797503 63430 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 367 12 2 3 4.5 Cc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 10.1016/j.bmcl.2011.05.029
68280743 147919 0 None 11 2 Human 7.4 pEC50 = 7.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 348 5 1 5 4.5 Nc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
CHEMBL3933624 147919 0 None 11 2 Human 7.4 pEC50 = 7.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 348 5 1 5 4.5 Nc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
168282073 190741 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 8 1 5 3.8 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5182813 190741 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 8 1 5 3.8 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
44412720 78303 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 423 8 2 7 3.5 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(=O)O)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL210841 78303 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 423 8 2 7 3.5 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC(=O)O)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
57398732 69755 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 368 9 2 4 2.6 NC(=O)C1(CCc2ccc(OCCCc3ccccc3)cc2)COC(=O)N1 10.1016/j.bmcl.2011.10.088
CHEMBL1935665 69755 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 minsAgonist activity at EGFP-tagged S1P1 receptor expressed in human UOS2 cells assessed as receptor internalization in endosomes after 60 mins
ChEMBL 368 9 2 4 2.6 NC(=O)C1(CCc2ccc(OCCCc3ccccc3)cc2)COC(=O)N1 10.1016/j.bmcl.2011.10.088
57394720 68338 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 489 6 1 7 4.4 O=C(O)CCCn1ncc2c1CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
CHEMBL1916556 68338 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 489 6 1 7 4.4 O=C(O)CCCn1ncc2c1CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
76311232 106078 0 None -1 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 421 12 4 4 3.2 CCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133605 106078 0 None -1 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 421 12 4 4 3.2 CCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
44565622 179338 0 None 1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 428 11 4 5 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473562 179338 0 None 1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 428 11 4 5 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 10.1016/j.bmcl.2009.02.073
57403435 68336 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 399 2 1 4 5.4 FC(F)(F)c1cc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916554 68336 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 399 2 1 4 5.4 FC(F)(F)c1cc(-c2nc(-c3ccc4c(c3)CCN4)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
46236809 8729 0 None 1 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 3 1 4 4.6 Cc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
CHEMBL1095995 8729 0 None 1 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 3 1 4 4.6 Cc1cc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)ccc1O 10.1021/jm100181s
44565717 189528 0 None 1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL514170 189528 0 None 1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
72793821 104693 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 6 2 6 5.5 Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)s2)cc(C)c1OCC(O)CO 10.1021/jm4014373
CHEMBL3105252 104693 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 6 2 6 5.5 Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)s2)cc(C)c1OCC(O)CO 10.1021/jm4014373
46880801 6264 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 314 7 2 5 3.1 CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
CHEMBL1081646 6264 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 314 7 2 5 3.1 CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
45376042 84118 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 426 6 1 6 3.1 CN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207781 84118 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 426 6 1 6 3.1 CN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
57391111 68301 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 437 4 1 3 4.8 CCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916401 68301 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 437 4 1 3 4.8 CCN(c1ccc2[nH]ncc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
25182764 150573 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 419 7 3 7 2.9 COc1cc(NS(C)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3955048 150573 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 419 7 3 7 2.9 COc1cc(NS(C)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
46880801 6264 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 314 7 2 5 3.1 CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081646 6264 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 314 7 2 5 3.1 CCCN(CCC)c1cc(C(=O)Nc2ccc(O)cc2)ncn1 10.1016/j.bmcl.2010.01.102
168285053 191566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 362 6 1 5 3.0 CCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5194896 191566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 362 6 1 5 3.0 CCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
89534871 145641 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 376 8 1 6 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ncn1 nan
CHEMBL3915773 145641 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 376 8 1 6 3.5 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ncn1 nan
44412703 77934 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 515 7 1 6 5.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL209536 77934 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 515 7 1 6 5.9 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OC(C(F)(F)F)C(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
70693811 73631 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 421 4 2 5 4.8 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2nccs2)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017809 73631 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 421 4 2 5 4.8 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2nccs2)c(C(F)(F)F)c1 10.1021/ml2001399
58329596 116347 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 376 6 1 5 4.1 COc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359517 116347 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 376 6 1 5 4.1 COc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
44548011 68360 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 469 7 1 7 3.1 CCc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1S(C)(=O)=O 10.1016/j.bmcl.2011.05.110
CHEMBL1916578 68360 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 469 7 1 7 3.1 CCc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1S(C)(=O)=O 10.1016/j.bmcl.2011.05.110
70688177 75279 0 None 33 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 495 6 2 5 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CCC(=O)O)cc21 10.1021/ml200252b
CHEMBL2037131 75279 0 None 33 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 495 6 2 5 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnc(CCC(=O)O)cc21 10.1021/ml200252b
166559129 191002 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 476 7 0 6 5.0 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C(F)(F)F)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5186672 191002 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 476 7 0 6 5.0 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C(F)(F)F)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
25182753 7555 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 4 3 5 4.2 O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087651 7555 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 4 3 5 4.2 O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1 nan
44412623 139535 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 390 7 2 5 4.1 Cc1cc(CCC(=O)O)ccc1-c1nc(-c2ccc(OC(C)C)c(C#N)c2)n[nH]1 10.1016/j.bmcl.2006.04.064
CHEMBL379589 139535 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 390 7 2 5 4.1 Cc1cc(CCC(=O)O)ccc1-c1nc(-c2ccc(OC(C)C)c(C#N)c2)n[nH]1 10.1016/j.bmcl.2006.04.064
16737504 57346 0 None 7 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 363 6 1 3 4.8 CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
CHEMBL1651704 57346 0 None 7 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 363 6 1 3 4.8 CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
25182753 7555 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 380 4 3 5 4.2 O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1087651 7555 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 380 4 3 5 4.2 O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
168282241 190962 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 10 1 5 4.6 CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5185995 190962 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 10 1 5 4.6 CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
127047986 139591 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797410 139591 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
25182749 142972 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 4 3 5 4.5 O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3894385 142972 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 380 4 3 5 4.5 O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
25182902 7597 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 379 7 2 5 3.7 NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1087910 7597 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 379 7 2 5 3.7 NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182906 152277 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 2 6 3.1 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC(C)C)C2CCCC2)ncn1 nan
CHEMBL3969302 152277 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 431 7 2 6 3.1 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC(C)C)C2CCCC2)ncn1 nan
25182902 7597 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 379 7 2 5 3.7 NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087910 7597 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 379 7 2 5 3.7 NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
70694426 75266 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CO)c21 10.1021/ml200252b
CHEMBL2037118 75266 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CO)c21 10.1021/ml200252b
44547414 68341 0 None -10 6 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916559 68341 0 None -10 6 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
44548058 73680 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 411 6 2 5 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018317 73680 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 411 6 2 5 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c(CC(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44129065 116388 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 471 8 1 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(CCCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359844 116388 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 471 8 1 7 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCN(CCCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
44125704 116398 0 None 316 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 472 8 2 8 4.5 CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359854 116398 0 None 316 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 472 8 2 8 4.5 CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
44124898 116417 0 None 398 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 369 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360365 116417 0 None 398 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 369 4 1 5 4.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1Cl 10.1021/jm5010336
25182746 5566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1076723 5566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 nan
25182746 5566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1076723 5566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
70686050 75269 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 5 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CCO)c21 10.1021/ml200252b
CHEMBL2037121 75269 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 5 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CCO)c21 10.1021/ml200252b
25183064 149277 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 11 2 6 3.1 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CCO)cc2C)ncn1 nan
CHEMBL3944612 149277 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 11 2 6 3.1 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CCO)cc2C)ncn1 nan
166559115 192134 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 351 5 0 6 2.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5203643 192134 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 351 5 0 6 2.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
70694788 76438 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 6 5.3 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2059679 76438 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 434 9 1 6 5.3 CCc1c(CCCC(=O)O)cncc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
70695958 73664 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4ccn(CCC(=O)O)c4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018175 73664 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 425 7 1 6 5.3 CC(C)Oc1ccc(-c2nc(-c3ccc4ccn(CCC(=O)O)c4c3)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
70687592 73677 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 405 5 2 6 4.4 CC1(C)Oc2ccc(-c3nc(-c4cccc5c(CCC(=O)O)c[nH]c45)no3)cc2O1 10.1016/j.bmcl.2012.02.083
CHEMBL2018312 73677 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 405 5 2 6 4.4 CC1(C)Oc2ccc(-c3nc(-c4cccc5c(CCC(=O)O)c[nH]c45)no3)cc2O1 10.1016/j.bmcl.2012.02.083
70692236 74964 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 460 8 1 5 6.8 O=C(O)CCCCCc1cnc2oc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032312 74964 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 460 8 1 5 6.8 O=C(O)CCCCCc1cnc2oc(-c3cc(-c4ccccc4)c(C(F)(F)F)s3)nc2c1 10.1016/j.bmcl.2012.04.095
70696402 74966 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 452 8 1 3 6.9 O=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
CHEMBL2032314 74966 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 452 8 1 3 6.9 O=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 10.1016/j.bmcl.2012.04.095
44128660 116425 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360373 116425 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCCNC4)no2)cc1Cl 10.1021/jm5010336
44125471 116430 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 8 1 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360378 116430 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 8 1 7 4.2 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
66654900 167588 0 None -199 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 485 7 1 5 5.0 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4217573 167588 0 None -199 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 485 7 1 5 5.0 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4300821 167588 0 None -199 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 485 7 1 5 5.0 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3OC(F)(F)F)ccc12 10.1016/j.bmcl.2017.12.018
70691540 73171 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 503 8 1 6 5.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN3CCNCC3)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011733 73171 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 503 8 1 6 5.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN3CCNCC3)c2)s1 10.1016/j.bmcl.2012.02.016
11977938 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951304 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
11978048 70915 0 None 3801 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 9 1 8 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3OC)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951311 70915 0 None 3801 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 9 1 8 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3OC)cc2)n1 10.1016/j.bmcl.2011.12.019
11977938 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2012.03.067
CHEMBL1951304 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2012.03.067
60150616 74168 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 465 9 1 6 5.3 CCc1cc(-c2cnc(-c3ccc(CN4CC(C(=O)O)C4)nc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
CHEMBL2022914 74168 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 465 9 1 6 5.3 CCc1cc(-c2cnc(-c3ccc(CN4CC(C(=O)O)C4)nc3CC)s2)ccc1OC(C)C 10.1016/j.bmcl.2012.03.067
57404009 71661 0 None 977 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935577 71661 0 None 977 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1963645 71661 0 None 977 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 409 8 1 3 4.6 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3cccc(F)c3)ccc21 10.1016/j.bmcl.2011.11.048
11977938 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.ejmech.2012.02.022
CHEMBL1951304 70908 30 None -2 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as induction of GTPgammaS binding
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.ejmech.2012.02.022
118707196 113041 0 None 54 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 469 12 3 5 4.2 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(Cl)c2)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311351 113041 0 None 54 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 469 12 3 5 4.2 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(Cl)c2)cc1 10.1016/j.bmc.2014.05.035
44547416 68353 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Br 10.1016/j.bmcl.2011.05.110
CHEMBL1916571 68353 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Br 10.1016/j.bmcl.2011.05.110
70686052 75276 0 None 234 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 494 6 2 4 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCC(=O)O)cc21 10.1021/ml200252b
CHEMBL2037128 75276 0 None 234 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 494 6 2 4 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCC(=O)O)cc21 10.1021/ml200252b
11452022 3594 39 None -1 6 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assayAgonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.0c00631
6996 3594 39 None -1 6 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assayAgonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.0c00631
CHEMBL366208 3594 39 None -1 6 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assayAgonist activity at recombinant human S1P1 receptor expressed in Chem-1 cells assessed as calcium flux measured for 180 secs by FLIPR assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.0c00631
168273309 190541 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 474 7 0 7 4.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5179798 190541 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 474 7 0 7 4.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
70687730 74170 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 449 8 1 5 5.5 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1cnc(-c2ccc(CC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022916 74170 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 449 8 1 5 5.5 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1cnc(-c2ccc(CC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
44219370 139727 0 None 93 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
CHEMBL3798240 139727 0 None 93 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 510 13 3 8 3.3 CCCN(C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 10.1016/j.ejmech.2016.03.048
10174255 85215 0 None 8 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL225575 85215 0 None 8 4 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1016/j.bmcl.2011.12.019
57401701 68305 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 498 7 1 6 6.0 O=C(O)CCCCn1cc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2n1 10.1016/j.bmcl.2011.05.110
CHEMBL1916405 68305 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 498 7 1 6 6.0 O=C(O)CCCCn1cc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc2n1 10.1016/j.bmcl.2011.05.110
46206435 7857 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 525 10 4 5 5.3 Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)c(F)c2)cc1 10.1021/jm901776q
CHEMBL1089810 7857 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 525 10 4 5 5.3 Cc1ccc(Sc2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)c(Cl)c3)c(F)c2)cc1 10.1021/jm901776q
10883396 3647 45 None -1 15 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml400194r
5283560 3647 45 None -1 15 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml400194r
911 3647 45 None -1 15 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml400194r
CHEMBL225155 3647 45 None -1 15 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P1R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/ml400194r
57399928 68335 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916553 68335 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
59202022 105539 0 None 436 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 431 9 3 8 2.5 CCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
CHEMBL3121972 105539 0 None 436 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 431 9 3 8 2.5 CCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
11852234 105557 0 None 407 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 513 10 2 6 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 10.1021/jm401456d
CHEMBL3121991 105557 0 None 407 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 513 10 2 6 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN1CC(C(=O)O)C1 10.1021/jm401456d
127048143 139845 0 None 354 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 525 14 3 9 3.1 CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1016/j.ejmech.2016.03.048
CHEMBL3799148 139845 0 None 354 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 525 14 3 9 3.1 CCCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1016/j.ejmech.2016.03.048
11531691 104398 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 8 1 4 5.4 CCc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO 10.1021/jm4014373
CHEMBL3102990 104398 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 8 1 4 5.4 CCc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCO 10.1021/jm4014373
11854090 104686 0 None 776 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 9 2 5 4.3 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)NCCO 10.1021/jm4014373
CHEMBL3105245 104686 0 None 776 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 455 9 2 5 4.3 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(=O)NCCO 10.1021/jm4014373
76329076 105765 0 None 707 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3ccc(CC(C)C)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126612 105765 0 None 707 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 11 3 8 3.0 CCc1cc(-c2noc(-c3ccc(CC(C)C)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
69263869 104707 0 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
Agonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 436 6 1 5 6.0 CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O 10.1021/jm4014373
CHEMBL3105479 104707 0 None 1 4 Rat 8.4 pEC50 = 8.4 Functional
Agonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at rat S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 436 6 1 5 6.0 CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O 10.1021/jm4014373
57393585 70919 0 None 2454 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 503 9 1 7 6.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C(C)C)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951315 70919 0 None 2454 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 503 9 1 7 6.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3C(C)C)cc2)n1 10.1016/j.bmcl.2011.12.019
70691922 74154 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022900 74154 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 476 8 1 6 6.4 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(Oc3ccccc3)cc2)s1 10.1016/j.bmcl.2012.03.067
57404012 71492 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 451 9 1 3 5.5 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](Cc3ccc(F)cc3)C(C)C)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1935586 71492 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 451 9 1 3 5.5 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](Cc3ccc(F)cc3)C(C)C)ccc21 10.1016/j.bmcl.2011.11.048
CHEMBL1962535 71492 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium levelAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of intracellular calcium level
ChEMBL 451 9 1 3 5.5 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OC[C@H](Cc3ccc(F)cc3)C(C)C)ccc21 10.1016/j.bmcl.2011.11.048
67195432 157127 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 453 8 1 3 5.9 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3Cl)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4075067 157127 0 None - 1 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 453 8 1 3 5.9 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3Cl)ccc21 10.1021/acs.jmedchem.7b00785
127046566 139995 0 None 338 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3799976 139995 0 None 338 2 Human 8.4 pEC50 = 8.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 510 11 3 9 3.2 CCc1cc(-c2noc(-c3cc(C4CCCC4)cc(OC)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
44624270 116284 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 485 7 2 2 7.4 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(CC4CCCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
CHEMBL3358918 116284 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 485 7 2 2 7.4 O=C(O)CC1CCc2c1[nH]c1ccc(OCc3ccc(CC4CCCCC4)c(C(F)(F)F)c3)cc21 10.1021/ml500389m
44137120 75779 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 2 6 4.3 COc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
CHEMBL2048291 75779 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 2 6 4.3 COc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
44156480 75782 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 1 7 4.2 COc1cc(C#N)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048294 75782 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 414 5 1 7 4.2 COc1cc(C#N)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
44547414 68341 0 None -10 6 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916559 68341 0 None -10 6 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 499 5 1 5 5.2 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
76314474 105568 0 None 1 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 527 10 3 8 4.3 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3122001 105568 0 None 1 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 527 10 3 8 4.3 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11567535 104435 0 None 602 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 8 1 5 4.5 COc1cc(OCCO)ccc1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103662 104435 0 None 602 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 400 8 1 5 4.5 COc1cc(OCCO)ccc1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
76318199 105782 0 None 389 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 11 3 8 2.5 CCCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 10.1021/jm4014696
CHEMBL3126629 105782 0 None 389 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 454 11 3 8 2.5 CCCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 10.1021/jm4014696
45378098 84120 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 454 8 1 6 3.9 CCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207783 84120 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 454 8 1 6 3.9 CCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
46205455 8427 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 477 10 4 5 4.5 NC(CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1Cl)COP(=O)(O)O 10.1021/jm901776q
CHEMBL1093574 8427 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilizationAgonist activity at human S1P1 receptor expressed in human Chem1 cells assessed as intracellular calcium mobilization
ChEMBL 477 10 4 5 4.5 NC(CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1Cl)COP(=O)(O)O 10.1021/jm901776q
76318055 105527 0 None 5 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 8 1 6 6.3 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCC(=O)O 10.1021/jm401456d
CHEMBL3121960 105527 0 None 5 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 8 1 6 6.3 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(C)(C)C4)n2)cc(C)c1OCCC(=O)O 10.1021/jm401456d
66636736 105537 0 None 269 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 11 3 8 3.3 CCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
CHEMBL3121970 105537 0 None 269 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 459 11 3 8 3.3 CCCCc1ccc(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)s1 10.1021/jm401456d
76321772 105554 0 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 553 10 3 8 4.8 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CCCC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121988 105554 0 None 2 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 553 10 3 8 4.8 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CCCC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11697277 104400 0 None 380 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 8 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCO 10.1021/jm4014373
CHEMBL3102992 104400 0 None 380 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 412 8 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCO 10.1021/jm4014373
168273309 190541 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 474 7 0 7 4.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5179798 190541 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 474 7 0 7 4.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C(F)(F)F)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
44138103 75781 0 None -2 4 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
76336213 105559 0 None 1096 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 11 3 6 3.8 CCc1cc(CCC(=O)c2scc3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121993 105559 0 None 1096 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 487 11 3 6 3.8 CCc1cc(CCC(=O)c2scc3c2CCC(C)(C)C3)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
11853832 104392 0 None 1548 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 471 11 3 6 4.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCCO 10.1021/jm4014373
CHEMBL3102984 104392 0 None 1548 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 471 11 3 6 4.1 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(O)CNCCO 10.1021/jm4014373
57396479 68304 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 484 6 1 6 5.7 O=C(O)CCCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916404 68304 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 484 6 1 6 5.7 O=C(O)CCCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
168293063 192074 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5202775 192074 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-c3cn(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
59446831 145342 0 None 2 2 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 500 11 2 7 3.9 O=C(O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3913491 145342 0 None 2 2 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 500 11 2 7 3.9 O=C(O)CCCS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
127048104 139899 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 483 11 3 9 1.9 CCc1cc(-c2noc(-c3cc(C)nc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799423 139899 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 483 11 3 9 1.9 CCc1cc(-c2noc(-c3cc(C)nc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
67171863 145929 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 483 6 2 6 5.4 CC(N)(CO)CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
CHEMBL3917997 145929 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 483 6 2 6 5.4 CC(N)(CO)CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
73333750 106066 0 None 31 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 448 10 4 7 3.2 Cc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
CHEMBL3133594 106066 0 None 31 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 448 10 4 7 3.2 Cc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
25182763 5556 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 5 2 5 3.9 CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1 nan
CHEMBL1076708 5556 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 5 2 5 3.9 CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1 nan
49872697 117612 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.4 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C(F)(F)F)cc3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3400917 117612 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 404 5 3 3 4.4 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C(F)(F)F)cc3)cc21 10.1016/j.bmcl.2014.11.089
45377524 84111 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 455 9 1 5 5.4 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cc(C)c(CCC(=O)O)c(C)c2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207774 84111 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 455 9 1 5 5.4 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2cc(C)c(CCC(=O)O)c(C)c2)s1 10.1016/j.bmcl.2012.09.110
168294690 192454 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 0 7 2.9 CCOc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5208552 192454 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 0 7 2.9 CCOc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
25182763 5556 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 354 5 2 5 3.9 CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
CHEMBL1076708 5556 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 354 5 2 5 3.9 CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
57401702 68307 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 403 2 1 5 4.1 FC(F)(F)c1cc(-c2nc(N3CCc4[nH]cnc4C3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916408 68307 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 403 2 1 5 4.1 FC(F)(F)c1cc(-c2nc(N3CCc4[nH]cnc4C3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
46237049 8894 0 None -4 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097529 8894 0 None -4 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 352 4 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
57399929 68339 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 497 5 1 6 5.9 O=C(O)CCC(=O)n1ccc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916557 68339 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 497 5 1 6 5.9 O=C(O)CCC(=O)n1ccc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
53318124 57387 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1651850 57387 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
57391921 69885 0 None 61 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938938 69885 0 None 61 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
68192027 152110 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 511 5 1 7 5.0 OCC1COCCN1Cc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
CHEMBL3967775 152110 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 511 5 1 7 5.0 OCC1COCCN1Cc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
57395370 69886 0 None -1 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938939 69886 0 None -1 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 10.1016/j.bmcl.2011.10.085
166559074 191107 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 5 1 4 3.8 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccc(Br)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5187844 191107 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 5 1 4 3.8 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccc(Br)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
5392139 45763 67 None -2 2 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 204 1 1 4 1.7 CC(=O)c1cc2ccc(O)cc2oc1=O nan
CHEMBL153064 45763 67 None -2 2 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 204 1 1 4 1.7 CC(=O)c1cc2ccc(O)cc2oc1=O nan
25182770 6080 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 4 2 5 3.4 CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 nan
CHEMBL1080684 6080 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 4 2 5 3.4 CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 nan
25182770 6080 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 350 4 2 5 3.4 CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
CHEMBL1080684 6080 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 350 4 2 5 3.4 CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
168285053 191566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 362 6 1 5 3.0 CCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5194896 191566 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 362 6 1 5 3.0 CCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
44599686 70688 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 433 7 2 5 5.5 O=C(O)CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950561 70688 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 433 7 2 5 5.5 O=C(O)CCNc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
118716180 114897 0 None 47 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 452 9 4 7 2.3 NC(CO)(CCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342005 114897 0 None 47 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 452 9 4 7 2.3 NC(CO)(CCc1ccc(-c2cn(-c3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
57400585 69880 0 None 48 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 471 5 1 6 4.2 CC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
CHEMBL1938933 69880 0 None 48 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 471 5 1 6 4.2 CC1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
53318124 57387 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1651850 57387 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
51346934 57994 32 None 83 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672558 57994 32 None 83 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 450 6 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
53324339 57997 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672561 57997 0 None 28 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 468 6 1 4 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccc(F)cc5F)ccc4s3)c(F)c2)C1 10.1021/ml100228m
53320363 58003 0 None 117 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672567 58003 0 None 117 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5Cl)ccc4s3)c(F)c2)C1 10.1021/ml100228m
57393649 69890 0 None 60 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938943 69890 0 None 60 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
118716147 114879 0 None 19 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 6 3.7 CCCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341925 114879 0 None 19 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 6 3.7 CCCc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
16737316 57356 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 409 9 1 5 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3OC)cc2c1 10.1021/ml100227q
CHEMBL1651713 57356 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 409 9 1 5 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3OC)cc2c1 10.1021/ml100227q
11371585 63431 0 None 77 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 351 9 1 3 3.7 O=C(O)C1CN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)C1 10.1016/j.bmcl.2011.05.029
CHEMBL1797504 63431 0 None 77 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 351 9 1 3 3.7 O=C(O)C1CN(C/C=C/c2ccc(OCCCc3ccccc3)cc2)C1 10.1016/j.bmcl.2011.05.029
168268847 192780 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5178933 192780 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5221343 192780 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 392 7 1 6 3.2 CC(C)Oc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
46195601 150530 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 486 11 3 8 3.7 CCCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3954636 150530 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 486 11 3 8 3.7 CCCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
1009742 73625 15 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 403 4 2 4 4.5 COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 10.1021/ml2001399
CHEMBL2017803 73625 15 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 403 4 2 4 4.5 COc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 10.1021/ml2001399
57395369 69883 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 5 1 6 4.5 CC1(C)SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
CHEMBL1938936 69883 0 None 6 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 485 5 1 6 4.5 CC1(C)SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
59447015 153389 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 412 7 2 5 4.1 O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3978790 153389 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 412 7 2 5 4.1 O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
45378095 84119 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 440 7 1 6 3.5 CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207782 84119 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 440 7 1 6 3.5 CCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
127046130 139913 0 None 144 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 402 6 1 7 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)on4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3799501 139913 0 None 144 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 402 6 1 7 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)on4)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
46866186 7329 0 None 3 3 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 307 11 2 3 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)C(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1086171 7329 0 None 3 3 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 307 11 2 3 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)C(=O)O)cc1 10.1016/j.bmcl.2010.01.118
11683935 179339 0 None -1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 456 9 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473563 179339 0 None -1 4 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 456 9 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
25182745 6269 1 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081655 6269 1 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 nan
25182756 7494 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 5 3 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087142 7494 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 5 3 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
25182745 6269 1 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081655 6269 1 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
25182756 7494 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 389 5 3 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1087142 7494 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 389 5 3 6 2.4 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
16737668 57344 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 397 6 1 3 5.2 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651702 57344 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 397 6 1 3 5.2 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
59446983 143086 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 10 2 6 4.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(C(=O)O)CC3)cc2C)ncn1 nan
CHEMBL3895352 143086 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 10 2 6 4.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(C(=O)O)CC3)cc2C)ncn1 nan
46236934 9053 0 None -2 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 368 4 1 5 4.3 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1O 10.1021/jm100181s
CHEMBL1098772 9053 0 None -2 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 368 4 1 5 4.3 COc1ccc(/C=C2\S/C(=N\C(C)C)N(c3ccccc3)C2=O)cc1O 10.1021/jm100181s
25182780 7575 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 6 3 5 3.0 O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087770 7575 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 6 3 5 3.0 O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1 nan
57392027 67900 0 None -21 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 361 2 0 4 3.9 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910678 67900 0 None -21 2 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 361 2 0 4 3.9 C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
25183067 152138 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 11 3 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1 nan
CHEMBL3968014 152138 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 11 3 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1 nan
44412673 78260 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 404 7 1 7 4.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC#N)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL210694 78260 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 404 7 1 7 4.0 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCC#N)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
57397984 70669 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 346 3 0 3 5.6 Fc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1 10.1016/j.bmcl.2011.12.073
CHEMBL1950480 70669 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 346 3 0 3 5.6 Fc1ccccc1-c1nc2ccc(C3(c4ccccc4)CC3)nc2s1 10.1016/j.bmcl.2011.12.073
11360553 58447 0 None 26 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 365 9 1 3 4.3 O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.01.029
CHEMBL1683049 58447 0 None 26 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 365 9 1 3 4.3 O=C(O)CCN1CC=C(c2ccc(OCCCc3ccccc3)cc2)CC1 10.1016/j.bmcl.2011.01.029
44547705 68349 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 469 8 1 6 5.0 CC[C@H](C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2011.05.110
CHEMBL1916567 68349 0 None - 1 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 469 8 1 6 5.0 CC[C@H](C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1Cl 10.1016/j.bmcl.2011.05.110
127048102 139911 0 None 181 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 511 13 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799493 139911 0 None 181 2 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 511 13 3 9 2.7 CCc1cc(-c2noc(-c3cc(C)nc(CN(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
166559118 191719 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 0 6 4.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5197074 191719 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 442 7 0 6 4.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
57400587 69895 0 None 5 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938948 69895 0 None 5 2 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
11682224 104449 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1ccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)c1 10.1021/jm4014373
CHEMBL3103677 104449 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1ccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c(OC)c1 10.1021/jm4014373
71461488 84108 1 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207769 84108 1 None - 1 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1 10.1016/j.bmcl.2012.09.110
46881912 6764 0 None 2 4 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 425 13 2 5 2.8 CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1083841 6764 0 None 2 4 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 425 13 2 5 2.8 CCCCCCCOc1ccc(CC[C@](C)(N)CCN2CC(=O)NS2(=O)=O)cc1 10.1016/j.bmcl.2010.01.118
59446931 146139 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 9 2 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(O)C3)cc2C)ncn1 nan
CHEMBL3919701 146139 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 9 2 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC(O)C3)cc2C)ncn1 nan
44412962 77436 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 362 4 1 4 5.5 Cc1cc(C(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL208682 77436 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 362 4 1 4 5.5 Cc1cc(C(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
10310952 85119 0 None 1 3 Human 7.3 pEC50 = 7.3 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 477 8 1 5 5.5 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224800 85119 0 None 1 3 Human 7.3 pEC50 = 7.3 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 477 8 1 5 5.5 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
45377940 84124 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 451 9 1 7 3.6 CCCCN(C(=O)c1cccnc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207787 84124 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 451 9 1 7 3.6 CCCCN(C(=O)c1cccnc1)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 10.1016/j.bmcl.2012.09.110
24956673 8517 0 None 2 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 372 3 1 4 4.9 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1094192 8517 0 None 2 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 372 3 1 4 4.9 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
46236523 8960 0 None 3 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 420 3 1 4 5.9 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1Cl 10.1021/jm100181s
CHEMBL1098143 8960 0 None 3 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 420 3 1 4 5.9 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1Cl 10.1021/jm100181s
57397896 70686 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 389 5 1 4 5.1 NCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950559 70686 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 389 5 1 4 5.1 NCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
46236400 8556 0 None -3 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 396 6 1 6 3.7 CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1094491 8556 0 None -3 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 396 6 1 6 3.7 CCOC(=O)CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
59447009 142699 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 6 2 5 4.2 O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3892174 142699 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 6 2 5 4.2 O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25182920 144226 0 None 16 2 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 11 2 7 3.9 COC(=O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3904549 144226 0 None 16 2 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 465 11 2 7 3.9 COC(=O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
76336215 105576 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 457 11 2 5 5.4 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCNCCO 10.1021/jm401456d
CHEMBL3122009 105576 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 457 11 2 5 5.4 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCNCCO 10.1021/jm401456d
76332955 106069 0 None 2 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 461 11 5 6 3.2 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c[nH]1 10.1039/C3MD00079F
CHEMBL3133597 106069 0 None 2 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 461 11 5 6 3.2 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)c[nH]1 10.1039/C3MD00079F
46195604 147754 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 550 9 3 8 2.8 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1I nan
CHEMBL3932447 147754 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 550 9 3 8 2.8 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1I nan
118716150 114882 0 None 17 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 424 9 4 7 2.8 NC(CO)(CCc1ccc(-c2coc(-c3cccs3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341928 114882 0 None 17 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 424 9 4 7 2.8 NC(CO)(CCc1ccc(-c2coc(-c3cccs3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
59446907 146720 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 9 1 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)ncn1 nan
CHEMBL3924114 146720 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 9 1 6 3.6 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(Cn3ccnc3)c2)ncn1 nan
119099080 160093 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 2 4 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-[n+]3cc[nH]c3)c2)ncn1 nan
CHEMBL4108636 160093 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 2 4 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-[n+]3cc[nH]c3)c2)ncn1 nan
57397196 69882 0 None 18 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 499 6 1 6 4.8 CC(C)C1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
CHEMBL1938935 69882 0 None 18 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 499 6 1 6 4.8 CC(C)C1SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1 10.1016/j.bmcl.2011.10.069
53320107 58004 0 None 79 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672568 58004 0 None 79 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 6 1 4 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5cccc(Cl)c5)ccc4s3)c(F)c2)C1 10.1021/ml100228m
67171242 148620 0 None 141 2 Human 7.3 pEC50 = 7.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 523 5 1 6 6.1 O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3939314 148620 0 None 141 2 Human 7.3 pEC50 = 7.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 523 5 1 6 6.1 O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
127047690 139712 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)ccc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798181 139712 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3cc(CN(C)CC(C)C)ccc3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
56949019 145993 0 None 79 2 Human 5.3 pEC50 = 5.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 392 7 0 5 5.6 COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3918461 145993 0 None 79 2 Human 5.3 pEC50 = 5.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 392 7 0 5 5.6 COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
25182918 151869 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 327 8 2 5 2.8 CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
CHEMBL3965613 151869 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 327 8 2 5 2.8 CCCN(CCC)c1cc(C(=O)Nc2ccc(CN)cc2)ncn1 nan
11977939 70920 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 479 8 1 7 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(F)c2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951316 70920 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 479 8 1 7 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(F)c2)n1 10.1016/j.bmcl.2011.12.019
57393586 70921 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 495 8 1 7 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(Cl)c2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951317 70921 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 495 8 1 7 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(Cl)c2)n1 10.1016/j.bmcl.2011.12.019
58537167 140016 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 416 6 1 7 3.9 Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3800122 140016 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 416 6 1 7 3.9 Cc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
66853439 159604 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 419 8 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4103252 159604 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 419 8 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc(CC(C)C)cc3)ccc21 10.1021/acs.jmedchem.7b00785
70684279 76402 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 418 9 1 5 5.6 CCc1c(CCCC(=O)O)cccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)no1 10.1021/jm2016107
CHEMBL2059522 76402 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 418 9 1 5 5.6 CCc1c(CCCC(=O)O)cccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)no1 10.1021/jm2016107
70692744 76432 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 479 9 1 6 6.0 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059672 76432 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 479 9 1 6 6.0 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)n1 10.1021/jm2016107
70696833 76435 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 496 8 1 4 7.5 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
CHEMBL2059676 76435 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 496 8 1 4 7.5 CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1 10.1021/jm2016107
59146063 73679 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 397 5 2 5 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
CHEMBL2018316 73679 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 397 5 2 5 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)O)c[nH]c34)no2)cc1Cl 10.1016/j.bmcl.2012.02.083
44129373 116393 0 None 2511 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 418 6 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359849 116393 0 None 2511 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 418 6 2 7 3.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4CC(=O)O)no2)cc1C#N 10.1021/jm5010336
44125588 116394 0 None 158 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 429 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359850 116394 0 None 158 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 429 5 2 7 3.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl 10.1021/jm5010336
59548622 116396 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 2 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359852 116396 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 457 7 2 7 4.7 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4CCC(=O)O)no2)cc1Cl 10.1021/jm5010336
166559059 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5183779 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5221922 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
11675496 77737 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 390 7 1 5 5.0 Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1016/j.bmcl.2006.04.064
CHEMBL209003 77737 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 390 7 1 5 5.0 Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)o1 10.1016/j.bmcl.2006.04.064
11853576 104718 0 None 204 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 441 10 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNCCO 10.1021/jm4014373
CHEMBL3105490 104718 0 None 204 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 441 10 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCNCCO 10.1021/jm4014373
44218906 139879 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 479 11 2 7 4.1 CCc1cc(-c2nc(-c3cc(C)c(CCC(=O)NCCO)c(CC)c3)no2)cnc1N(C)C(C)C 10.1016/j.ejmech.2016.03.048
CHEMBL3799324 139879 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 479 11 2 7 4.1 CCc1cc(-c2nc(-c3cc(C)c(CCC(=O)NCCO)c(CC)c3)no2)cnc1N(C)C(C)C 10.1016/j.ejmech.2016.03.048
46846902 139762 0 None 501 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 6 1 7 4.9 CC(C)(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
CHEMBL3798531 139762 0 None 501 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay
ChEMBL 458 6 1 7 4.9 CC(C)(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00089
44547862 68355 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 481 6 1 6 4.7 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(Cl)c(OC(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916573 68355 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 481 6 1 6 4.7 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(Cl)c(OC(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
44219528 139695 0 None 66 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
CHEMBL3798068 139695 0 None 66 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 14 3 8 3.7 CCCCN(C)Cc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C 10.1016/j.ejmech.2016.03.048
70689618 73629 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 388 5 2 3 5.4 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(C)C)c1 10.1021/ml2001399
CHEMBL2017807 73629 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 388 5 2 3 5.4 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(C)C)c1 10.1021/ml2001399
70689782 74171 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 463 9 1 5 5.7 CCc1cc(-c2ncc(-c3ccc(CN4CC(C(=O)O)C4)nc3CC)s2)ccc1CC(C)C 10.1016/j.bmcl.2012.03.067
CHEMBL2022917 74171 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 463 9 1 5 5.7 CCc1cc(-c2ncc(-c3ccc(CN4CC(C(=O)O)C4)nc3CC)s2)ccc1CC(C)C 10.1016/j.bmcl.2012.03.067
127046865 139672 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 11 3 9 2.2 CCc1cc(-c2noc(-c3ccc(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797921 139672 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 474 11 3 9 2.2 CCc1cc(-c2noc(-c3ccc(CN(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44138103 75781 0 None -2 4 Mouse 8.3 pEC50 = 8.3 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048293 75781 0 None -2 4 Mouse 8.3 pEC50 = 8.3 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 1 7 5.1 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4c(c3)cc3n4CCC3CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
70689781 74167 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 451 8 1 6 5.0 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1ncc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022913 74167 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 451 8 1 6 5.0 CCc1nc(CN2CC(C(=O)O)C2)ccc1-c1ncc(-c2ccc(OC(C)C)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
166559059 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5183779 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
CHEMBL5221922 192871 0 None - 1 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 462 7 1 5 4.9 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01979
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2012.11.053
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2012.11.053
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2012.11.053
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2012.11.053
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation countingAntagonist activity at human S1P1 receptor expressed in HEK293T cells assessed as inhibition of sphingosine-1-phosphate-induced gamma-[35S]GTP binding after 30 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
25192005 7734 0 None 3 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
CHEMBL1089004 7734 0 None 3 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assayAgonist activity at human S1P1 receptor assessed as effect on calcium mobilization by Gq dependent whole cell assay
ChEMBL 397 11 3 3 4.5 CCCCCCCCc1ccc2c(c1)CC[C@@H]([C@@](C)(N)COP(=O)(O)O)C2 10.1016/j.bmcl.2010.02.006
44125170 65953 5 None 16 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/jm200609t
CHEMBL1836169 65953 5 None 16 2 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/jm200609t
24851764 105780 0 None 295 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126627 105780 0 None 295 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
11224984 8715 23 None 13 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1095833 8715 23 None 13 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in HEK cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
46880964 7596 0 None 416 2 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 457 8 2 6 3.5 CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 nan
CHEMBL1087909 7596 0 None 416 2 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 457 8 2 6 3.5 CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 nan
70687729 74161 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(F)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022907 74161 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(OC(C)C)c(F)c2)s1 10.1016/j.bmcl.2012.03.067
69143673 104440 0 None 446 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 384 7 1 4 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO 10.1021/jm4014373
CHEMBL3103667 104440 0 None 446 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 384 7 1 4 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)ccc1OCCO 10.1021/jm4014373
11168252 85082 0 None 3 3 Human 8.2 pEC50 = 8.2 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 515 7 1 4 6.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 10.1021/jm0492507
CHEMBL224549 85082 0 None 3 3 Human 8.2 pEC50 = 8.2 Functional
Activity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayActivity at human S1P1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 515 7 1 4 6.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 10.1021/jm0492507
127046992 140034 0 None 61 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 508 11 3 8 3.0 CCc1cc(-c2noc(-c3ccc(CN4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800230 140034 0 None 61 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 508 11 3 8 3.0 CCc1cc(-c2noc(-c3ccc(CN4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
56949140 147258 0 None 83 2 Human 7.3 pEC50 = 7.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 367 5 0 4 5.6 Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
CHEMBL3928616 147258 0 None 83 2 Human 7.3 pEC50 = 7.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 367 5 0 4 5.6 Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
70681008 73172 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 503 8 1 6 5.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CN3CCNCC3)cc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011734 73172 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 503 8 1 6 5.1 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CN3CCNCC3)cc2)s1 10.1016/j.bmcl.2012.02.016
44129143 116384 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 448 7 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359840 116384 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 448 7 1 8 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1C#N 10.1021/jm5010336
44125704 116398 0 None 316 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 472 8 2 8 4.5 CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359854 116398 0 None 316 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 472 8 2 8 4.5 CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl 10.1021/jm5010336
66726834 153026 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 510 7 3 7 4.1 NC(CO)(CO)CN1CCc2c(-c3noc(-c4ccc(-c5ccccc5C(F)(F)F)cc4)n3)cccc21 nan
CHEMBL3975718 153026 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 510 7 3 7 4.1 NC(CO)(CO)CN1CCc2c(-c3noc(-c4ccc(-c5ccccc5C(F)(F)F)cc4)n3)cccc21 nan
70685208 73152 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011709 73152 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
44125470 116429 0 None 3 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 441 8 1 6 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360377 116429 0 None 3 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 441 8 1 6 5.0 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CN(CCCC(=O)O)C4)no2)cc1Cl 10.1021/jm5010336
66655198 163658 0 None -316 3 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 7 1 4 5.2 O=C(O)CCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4204437 163658 0 None -316 3 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 449 7 1 4 5.2 O=C(O)CCCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
68082485 167518 0 None -3 3 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 395 8 1 4 3.9 O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4207162 167518 0 None -3 3 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 395 8 1 4 3.9 O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4300006 167518 0 None -3 3 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 395 8 1 4 3.9 O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12 10.1016/j.bmcl.2017.12.018
59446938 152192 0 None - 1 Human 5.3 pEC50 = 5.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 488 13 1 8 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)OCC)cc2)ncn1 nan
CHEMBL3968471 152192 0 None - 1 Human 5.3 pEC50 = 5.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 488 13 1 8 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CS(=O)(=O)CCC(=O)OCC)cc2)ncn1 nan
5398663 45840 20 None -2 3 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 285 3 2 5 2.0 O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O nan
CHEMBL1531320 45840 20 None -2 3 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 285 3 2 5 2.0 O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O nan
25182908 151060 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 7 2 6 2.3 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C(C)C nan
CHEMBL3958821 151060 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 7 2 6 2.3 CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C(C)C nan
73774584 106091 0 None 7 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 443 10 4 5 3.9 NC(CO)(CCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133706 106091 0 None 7 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 443 10 4 5 3.9 NC(CO)(CCc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
16737511 57349 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 399 6 1 4 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Oc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651707 57349 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 399 6 1 4 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Oc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
25183068 142731 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 11 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC(C)C(=O)O)cc2C)ncn1 nan
CHEMBL3892397 142731 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 11 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC(C)C(=O)O)cc2C)ncn1 nan
168279492 190748 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 7 0 7 3.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5182920 190748 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 406 7 0 7 3.3 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
76332956 106071 0 None 3 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 441 12 4 5 3.7 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c2)cc1 10.1039/C3MD00079F
CHEMBL3133599 106071 0 None 3 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 441 12 4 5 3.7 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)c(F)c2)cc1 10.1039/C3MD00079F
57402358 69875 0 None 19 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 461 7 1 5 5.6 CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
CHEMBL1938927 69875 0 None 19 2 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 461 7 1 5 5.6 CCC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
53322110 57343 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
CHEMBL1651701 57343 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
16737130 57355 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 397 8 1 4 4.9 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)cc2c1 10.1021/ml100227q
CHEMBL1651712 57355 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 397 8 1 4 4.9 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)cc2c1 10.1021/ml100227q
11595314 104447 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 341 4 1 3 4.3 COc1ccccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103675 104447 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 341 4 1 3 4.3 COc1ccccc1CNC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
76325749 106092 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 471 11 4 5 4.4 CCc1ccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133707 106092 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 471 11 4 5 4.4 CCc1ccc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)cc1 10.1039/C3MD00079F
135502886 121674 24 None -10 4 Human 4.3 pEC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 221 1 2 4 1.1 NC(=S)c1cc2ccc(O)cc2oc1=O nan
CHEMBL358644 121674 24 None -10 4 Human 4.3 pEC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 221 1 2 4 1.1 NC(=S)c1cc2ccc(O)cc2oc1=O nan
118716183 114900 0 None 36 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 7 2.2 CCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3342008 114900 0 None 36 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 446 10 4 7 2.2 CCc1ccc(-n2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
56948778 146987 0 None 4 2 Human 6.3 pEC50 = 6.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 346 5 0 3 5.9 Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3926389 146987 0 None 4 2 Human 6.3 pEC50 = 6.3 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 346 5 0 3 5.9 Cc1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
59447046 143779 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 528 12 1 8 4.1 CCOC(=O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3900997 143779 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 528 12 1 8 4.1 CCOC(=O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
70689764 74136 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
CHEMBL2022704 74136 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 461 8 1 7 5.3 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1nnc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
66853698 156062 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 413 6 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc4ccccc4c3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4062652 156062 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 413 6 1 3 5.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCc3ccc4ccccc4c3)ccc21 10.1021/acs.jmedchem.7b00785
57403436 68337 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 487 5 1 6 4.8 O=C(O)COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
CHEMBL1916555 68337 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 487 5 1 6 4.8 O=C(O)COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2 10.1016/j.bmcl.2011.05.110
53325380 58001 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1cccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)c1 10.1021/ml100228m
CHEMBL1672565 58001 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1cccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)c1 10.1021/ml100228m
46236521 8925 0 None 7 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 406 3 1 4 5.6 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl 10.1021/jm100181s
CHEMBL1097807 8925 0 None 7 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 406 3 1 4 5.6 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1Cl 10.1021/jm100181s
76310993 105751 0 None 97 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(N(CC)CC)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126598 105751 0 None 97 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3cc(N(CC)CC)cc(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
46195026 150768 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 452 10 3 9 2.8 CCOc1ccc(-c2nc(-c3cccc4c3ccn4CC(N)(CO)CO)no2)cc1OCC nan
CHEMBL3956470 150768 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 452 10 3 9 2.8 CCOc1ccc(-c2nc(-c3cccc4c3ccn4CC(N)(CO)CO)no2)cc1OCC nan
118716153 114886 0 None 15 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 450 10 4 6 2.8 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341931 114886 0 None 15 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 450 10 4 6 2.8 NC(CO)(CCc1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
25182625 149879 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 362 4 3 5 4.3 O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3949207 149879 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 362 4 3 5 4.3 O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
67196477 155794 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2cc3c(cc2C)C(C)=C(CN2CC(C(=O)O)C2)CC3)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4059628 155794 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 449 9 1 4 5.3 CCCc1ccc(COc2cc3c(cc2C)C(C)=C(CN2CC(C(=O)O)C2)CC3)c(OC)c1 10.1021/acs.jmedchem.7b00785
166559136 193035 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5208384 193035 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222901 193035 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
3122786 28445 19 None -2 4 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 334 4 0 4 5.1 COc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1 nan
CHEMBL1375375 28445 19 None -2 4 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 334 4 0 4 5.1 COc1ccc(C2CC(c3cccs3)=NN2c2ccccc2)cc1 nan
59446897 154295 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 9 1 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)ncn1 nan
CHEMBL3986610 154295 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 391 9 1 7 3.0 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)ncn1 nan
42630194 75775 0 None -3 5 Human 7.3 pEC50 = 7.3 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -3 5 Human 7.3 pEC50 = 7.3 Functional
Agonist activity against human S1P1 by beta arrestin recruitment assayAgonist activity against human S1P1 by beta arrestin recruitment assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
46236402 8595 0 None 14 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 336 4 1 4 3.9 C=CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
CHEMBL1094831 8595 0 None 14 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 336 4 1 4 3.9 C=CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C(C)C 10.1021/jm100181s
127046179 139805 0 None 41 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 544 13 3 9 3.9 CCc1cc(-c2noc(-c3sc(CN(C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798807 139805 0 None 41 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 544 13 3 9 3.9 CCc1cc(-c2noc(-c3sc(CN(C)CC(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
44624139 116282 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 459 6 2 2 6.9 CC(C)(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
CHEMBL3358916 116282 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 459 6 2 2 6.9 CC(C)(C)Cc1ccc(COc2ccc3[nH]c4c(c3c2)CCC4CC(=O)O)cc1C(F)(F)F 10.1021/ml500389m
118716190 114907 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 500 10 4 7 2.7 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342015 114907 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 500 10 4 7 2.7 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
89534809 147155 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 10 2 8 1.1 CCOCN(CCOC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
CHEMBL3927801 147155 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 423 10 2 8 1.1 CCOCN(CCOC)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
59446950 152805 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 349 7 2 4 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ccc23)ncn1 nan
CHEMBL3973776 152805 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 349 7 2 4 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ccc23)ncn1 nan
58390949 84113 0 None 81 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 442 10 2 6 4.0 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207776 84113 0 None 81 2 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 442 10 2 6 4.0 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CNCC(=O)O)cc2)s1 10.1016/j.bmcl.2012.09.110
11540052 180565 0 None 2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL475405 180565 0 None 2 4 Human 7.3 pEC50 = 7.3 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
59446977 143954 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 367 9 2 5 3.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1 nan
CHEMBL3902453 143954 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 367 9 2 5 3.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNC)cc2C)ncn1 nan
166559074 191107 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 5 1 4 3.8 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccc(Br)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5187844 191107 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 414 5 1 4 3.8 O=C(O)C1CN(Cc2ccc(C3=NOC(c4ccc(Br)cc4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
23121338 63434 0 None 134 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 11 2 3 4.5 O=C(O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 10.1016/j.bmcl.2011.05.029
CHEMBL1797507 63434 0 None 134 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 379 11 2 3 4.5 O=C(O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 10.1016/j.bmcl.2011.05.029
67193564 157361 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 436 9 1 5 4.4 CCCc1cc(OC)c(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)cn1 10.1021/acs.jmedchem.7b00785
CHEMBL4077888 157361 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 436 9 1 5 4.4 CCCc1cc(OC)c(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)cn1 10.1021/acs.jmedchem.7b00785
16737679 57360 0 None 70 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1651717 57360 0 None 70 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100228m
53235481 151140 0 None -6 3 Human 7.2 pEC50 = 7.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3959509 151140 0 None -6 3 Human 7.2 pEC50 = 7.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
168284935 192910 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5192549 192910 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222161 192910 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
44412814 139532 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 367 5 1 5 4.2 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL379556 139532 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 367 5 1 5 4.2 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
57390104 69873 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 5 5.2 CC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
CHEMBL1938925 69873 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 447 6 1 5 5.2 CC(c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1)c1ccccn1 10.1016/j.bmcl.2011.10.069
56948896 149621 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 416 6 0 4 6.5 FC(F)(F)Oc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3947171 149621 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 416 6 0 4 6.5 FC(F)(F)Oc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
11588811 4010 45 None -1 4 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
136212600 4010 45 None -1 4 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
3324 4010 45 None -1 4 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
CHEMBL228102 4010 45 None -1 4 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
46236274 8557 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C 10.1021/jm100181s
CHEMBL1094501 8557 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.1 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C 10.1021/jm100181s
46237052 8796 0 None 1 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 396 7 1 5 4.3 CC(C)/N=C1\S/C(=C\c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1096676 8796 0 None 1 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 396 7 1 5 4.3 CC(C)/N=C1\S/C(=C\c2ccc(OCCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
16737505 57347 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 411 7 1 3 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(CCc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651705 57347 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 411 7 1 3 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(CCc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
46236273 8518 0 None -1 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 3 1 4 5.9 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1c1ccccc1 10.1021/jm100181s
CHEMBL1094193 8518 0 None -1 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 3 1 4 5.9 O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\C2CCCCC2)N1c1ccccc1 10.1021/jm100181s
44601271 70672 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 418 6 1 4 5.6 O=C(O)CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950483 70672 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 418 6 1 4 5.6 O=C(O)CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
59446893 153737 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1 nan
CHEMBL3981795 153737 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 350 7 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ncc23)ncn1 nan
166559115 192134 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 351 5 0 6 2.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5203643 192134 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 351 5 0 6 2.6 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccccn4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
59446828 142474 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 436 10 1 8 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)ncn1 nan
CHEMBL3890343 142474 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 436 10 1 8 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)ncn1 nan
2842931 46550 14 None -2 3 Human 5.2 pEC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 3 0 4 5.4 Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 nan
CHEMBL1537907 46550 14 None -2 3 Human 5.2 pEC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 3 0 4 5.4 Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 nan
25182901 6027 0 None 537 2 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 404 6 2 5 4.5 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1080382 6027 0 None 537 2 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 404 6 2 5 4.5 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
59446927 145491 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 6 2 4 4.8 O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3914648 145491 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 6 2 4 4.8 O=C(Nc1cccc2[nH]ccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25256388 132716 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 374 4 0 4 5.8 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 10.1021/acs.jmedchem.6b01575
CHEMBL3699120 132716 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 374 4 0 4 5.8 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 10.1021/acs.jmedchem.6b01575
25182901 6027 0 None 537 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 404 6 2 5 4.5 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080382 6027 0 None 537 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 404 6 2 5 4.5 Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46880964 7596 0 None 416 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 457 8 2 6 3.5 CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 10.1016/j.bmcl.2010.01.102
CHEMBL1087909 7596 0 None 416 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 457 8 2 6 3.5 CNS(=O)(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)c(C)c1 10.1016/j.bmcl.2010.01.102
70693976 74164 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(O[C@@H](C)CC)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022910 74164 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(O[C@@H](C)CC)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
76332615 105552 0 None -5 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 555 12 3 8 5.0 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(CC)(CC)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121986 105552 0 None -5 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 555 12 3 8 5.0 CCc1cc(-c2noc(-c3sc(CC)c4c3CCC(CC)(CC)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm401456d
44547710 68342 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 471 5 1 5 5.3 O=C(O)CCN1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916560 68342 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 471 5 1 5 5.3 O=C(O)CCN1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
11852636 105574 0 None 1380 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 399 7 1 4 5.3 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCN 10.1021/jm401456d
CHEMBL3122007 105574 0 None 1380 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 399 7 1 4 5.3 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCN 10.1021/jm401456d
44547418 68356 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 418 6 1 7 3.0 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2011.05.110
CHEMBL1916574 68356 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 418 6 1 7 3.0 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2011.05.110
11633613 104430 0 None 346 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 442 9 2 5 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(CO)CO 10.1021/jm4014373
CHEMBL3103657 104430 0 None 346 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 442 9 2 5 4.8 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCC(CO)CO 10.1021/jm4014373
70683349 73689 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 469 8 1 7 5.4 COc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2c1c(CCC(=O)O)cn2C 10.1016/j.bmcl.2012.02.083
CHEMBL2018327 73689 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor by Tango assayAgonist activity at S1P1 receptor by Tango assay
ChEMBL 469 8 1 7 5.4 COc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2c1c(CCC(=O)O)cn2C 10.1016/j.bmcl.2012.02.083
70683794 74962 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 437 9 1 6 5.3 CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F 10.1016/j.bmcl.2012.04.095
CHEMBL2032310 74962 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 437 9 1 6 5.3 CC(C)Oc1ncc(-c2nc3cc(CCCCCC(=O)O)cnc3o2)cc1C(F)(F)F 10.1016/j.bmcl.2012.04.095
57404356 73180 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 6 1 4 6.3 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(F)c3[nH]ccc23)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011742 73180 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 6 1 4 6.3 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(F)c3[nH]ccc23)s1 10.1016/j.bmcl.2012.02.016
118723864 116386 0 None 630 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 7 1 7 3.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359842 116386 0 None 630 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 432 7 1 7 3.9 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
127045962 140013 0 None 676 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 11 3 9 2.9 CCc1cc(-c2noc(-c3sc(CN(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800102 140013 0 None 676 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 502 11 3 9 2.9 CCc1cc(-c2noc(-c3sc(CN(C)C)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
168272109 190313 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 431 7 0 8 3.2 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C#N)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5176185 190313 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 431 7 0 8 3.2 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(C#N)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
57398468 70893 0 None 123 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 6 1 7 5.7 O=C(O)C1CN(Cc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951147 70893 0 None 123 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 491 6 1 7 5.7 O=C(O)C1CN(Cc2cc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
11978162 70914 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 495 8 1 7 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3Cl)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951310 70914 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 495 8 1 7 6.0 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3Cl)cc2)n1 10.1016/j.bmcl.2011.12.019
57398845 70917 0 None 1548 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 489 9 1 7 5.9 CCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951313 70917 0 None 1548 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 489 9 1 7 5.9 CCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
118707199 113044 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmcl.2017.02.011
CHEMBL3311354 113044 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmcl.2017.02.011
118707199 113044 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311354 113044 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 463 12 3 5 4.2 Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(=O)(O)O)cc2C)cc1 10.1016/j.bmc.2014.05.035
11495124 104436 0 None 812 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 404 7 1 4 5.2 Cc1sc(C(=O)CCc2ccc(OCCO)cc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3103663 104436 0 None 812 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 404 7 1 4 5.2 Cc1sc(C(=O)CCc2ccc(OCCO)cc2Cl)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
67195758 159449 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 465 9 2 5 4.3 COc1cc(CC(C)(C)O)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
CHEMBL4101237 159449 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 465 9 2 5 4.3 COc1cc(CC(C)(C)O)ccc1COc1ccc2c(c1)CCC(CN1CC(C(=O)O)C1)=C2C 10.1021/acs.jmedchem.7b00785
44547709 68343 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 513 6 1 5 5.6 O=C(O)CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916561 68343 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 513 6 1 5 5.6 O=C(O)CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
76321769 105532 0 None 26 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 11 3 8 4.0 CCc1c(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)sc(C)c1CC(C)C 10.1021/jm401456d
CHEMBL3121965 105532 0 None 26 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 501 11 3 8 4.0 CCc1c(-c2nc(-c3cc(C)c(OCC(O)CNC(=O)CO)c(C)c3)no2)sc(C)c1CC(C)C 10.1021/jm401456d
67416434 104720 0 None 630 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 8 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN 10.1021/jm4014373
CHEMBL3105492 104720 0 None 630 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 411 8 1 4 5.5 Cc1cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc(C)c1OCCCN 10.1021/jm4014373
3868087 68300 2 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 341 5 0 2 4.4 C=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916400 68300 2 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 341 5 0 2 4.4 C=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 10.1016/j.bmcl.2011.05.110
58329610 116348 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 437 7 1 4 5.5 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(OCF)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3359518 116348 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 437 7 1 4 5.5 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(OCF)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
46195603 151211 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 408 8 3 7 2.4 CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1 nan
CHEMBL3959942 151211 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 408 8 3 7 2.4 CCCc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1 nan
25182910 6124 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL1080880 6124 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
70695932 73633 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 436 5 2 4 4.6 COc1ccccc1C(=O)NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017811 73633 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 436 5 2 4 4.6 COc1ccccc1C(=O)NC(=O)Nc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 10.1021/ml2001399
49873196 117956 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 446 6 1 6 4.5 N#Cc1cc(COc2ccc3c(c2)cc2n3CCOC2CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
CHEMBL3403625 117956 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 446 6 1 6 4.5 N#Cc1cc(COc2ccc3c(c2)cc2n3CCOC2CC(=O)O)cc(OC(F)(F)F)c1 10.1016/j.bmcl.2014.11.089
72793788 104721 0 None 741 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 9 1 4 5.8 CNCCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
CHEMBL3105493 104721 0 None 741 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 425 9 1 4 5.8 CNCCCOc1c(C)cc(CCC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)cc1C 10.1021/jm4014373
127046866 139838 0 None 676 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 12 3 9 2.6 CCc1cc(-c2noc(-c3ccc(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799109 139838 0 None 676 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 488 12 3 9 2.6 CCc1cc(-c2noc(-c3ccc(CN(C)CC)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
57396486 68351 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 446 7 1 7 3.8 CC(C)Oc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1C#N 10.1016/j.bmcl.2011.05.110
CHEMBL1916569 68351 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assayAgonist activity at recombinant human S1P1 receptor expressed in HEK293 cells after 2 hrs by beta-arrestin assay
ChEMBL 446 7 1 7 3.8 CC(C)Oc1cc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)O)no2)ccc1C#N 10.1016/j.bmcl.2011.05.110
45255648 148911 0 None 19 2 Human 8.2 pEC50 = 8.2 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCC nan
CHEMBL3941765 148911 0 None 19 2 Human 8.2 pEC50 = 8.2 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1OCC nan
25182779 153932 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 503 11 4 8 1.9 O=C(Nc1ccc(S(=O)(=O)NCC(O)CO)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3983474 153932 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 503 11 4 8 1.9 O=C(Nc1ccc(S(=O)(=O)NCC(O)CO)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
57400135 70896 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 399 8 1 7 3.8 CCCOc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1951151 70896 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 399 8 1 7 3.8 CCCOc1ccc(-c2nc(-c3csc(CN4CC(C(=O)O)C4)c3)no2)cc1 10.1016/j.bmcl.2011.12.019
57402392 69893 0 None 41 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938946 69893 0 None 41 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
57398471 70904 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(Oc2ccccc2)ccc1-c1nc(-c2csc(CN3CC(C(=O)O)C3)c2)no1 10.1016/j.bmcl.2011.12.019
CHEMBL1951159 70904 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 447 7 1 7 5.1 Cc1cc(Oc2ccccc2)ccc1-c1nc(-c2csc(CN3CC(C(=O)O)C3)c2)no1 10.1016/j.bmcl.2011.12.019
16737670 57345 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 389 5 1 3 5.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651703 57345 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 389 5 1 3 5.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
59446953 147450 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 413 8 1 6 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)ncn1 nan
CHEMBL3930189 147450 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 413 8 1 6 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)ncn1 nan
57570479 87613 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccccc2)c(F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336089 87613 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 420 10 2 4 5.0 C/C(=N\OCc1ccc(-c2ccccc2)c(F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
25182771 144825 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 4 2 5 3.8 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCC(C)CC2)ncn1 nan
CHEMBL3909549 144825 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 354 4 2 5 3.8 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCC(C)CC2)ncn1 nan
44600484 70673 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 432 7 1 4 6.0 O=C(O)CCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950484 70673 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 432 7 1 4 6.0 O=C(O)CCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
46238363 8812 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 373 3 1 5 4.0 CN(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1096786 8812 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 373 3 1 5 4.0 CN(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
16737507 57359 0 None 8 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 10.1021/ml100227q
CHEMBL1651716 57359 0 None 8 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 10.1021/ml100227q
25183070 145518 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 417 9 2 6 2.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2C)ncn1 nan
CHEMBL3914872 145518 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 417 9 2 6 2.6 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2C)ncn1 nan
70685934 74969 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 458 8 1 4 6.9 O=C(O)CCCCCc1cn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2s1 10.1016/j.bmcl.2012.04.095
CHEMBL2032317 74969 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at SIP1 receptor by tango assayAgonist activity at SIP1 receptor by tango assay
ChEMBL 458 8 1 4 6.9 O=C(O)CCCCCc1cn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2s1 10.1016/j.bmcl.2012.04.095
70681007 73169 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 435 7 1 5 5.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CO)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011731 73169 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 435 7 1 5 5.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CO)c2)s1 10.1016/j.bmcl.2012.02.016
44129145 116385 0 None 398 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 462 8 1 8 4.1 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCCC(=O)O)CCO4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359841 116385 0 None 398 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 462 8 1 8 4.1 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCCC(=O)O)CCO4)no2)cc1C#N 10.1021/jm5010336
44406009 72707 0 None -12 4 Human 7.2 pEC50 = 7.2 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 515 18 5 10 3.4 N[C@@H](COP(=O)(O)O)[C@H](O)/C=C/CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 10.1016/j.bmcl.2005.09.038
CHEMBL199754 72707 0 None -12 4 Human 7.2 pEC50 = 7.2 Functional
Binding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assayBinding potency at human S1P1 receptor by [35S]GTP-gamma-S binding assay
ChEMBL 515 18 5 10 3.4 N[C@@H](COP(=O)(O)O)[C@H](O)/C=C/CCCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12 10.1016/j.bmcl.2005.09.038
168273677 190370 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 8 0 6 3.9 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5177232 190370 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 8 0 6 3.9 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
118716189 114906 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 466 10 4 7 2.4 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342014 114906 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 466 10 4 7 2.4 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(Cl)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
46236665 8526 0 None 1 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 4.9 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1 10.1021/jm100181s
CHEMBL1094248 8526 0 None 1 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 4 1 4 4.9 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1 10.1021/jm100181s
70682167 76403 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 417 9 1 5 5.2 CCc1c(CCCC(=O)O)cccc1-c1cnn(-c2ccc(OC(C)C)c(C#N)c2)c1 10.1021/jm2016107
CHEMBL2059523 76403 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 417 9 1 5 5.2 CCc1c(CCCC(=O)O)cccc1-c1cnn(-c2ccc(OC(C)C)c(C#N)c2)c1 10.1021/jm2016107
70696832 76428 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nn1 10.1021/jm2016107
CHEMBL2059664 76428 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 429 9 1 5 5.4 CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)nn1 10.1021/jm2016107
3212809 73154 5 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011711 73154 5 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 368 7 0 6 4.1 CCCCN(C(=O)c1ccccc1OC)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70693631 73155 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011712 73155 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1ccccc1C)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70689430 73159 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011716 73159 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 352 6 0 5 4.4 CCCCN(C(=O)c1cccc(C)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
70681006 73165 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 375 5 0 4 5.1 CCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011727 73165 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 375 5 0 4 5.1 CCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
70693635 73168 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 403 7 0 4 5.8 CCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011730 73168 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 403 7 0 4 5.8 CCCCCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 10.1016/j.bmcl.2012.02.016
70685209 73175 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 8 0 5 5.7 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN(C)C)c2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011737 73175 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 462 8 0 5 5.7 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc(CN(C)C)c2)s1 10.1016/j.bmcl.2012.02.016
44128819 116427 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360375 116427 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 383 4 1 5 4.9 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCCNC4)no2)cc1Cl 10.1021/jm5010336
53234306 147707 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 379 7 2 5 3.8 CCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1 nan
CHEMBL3932019 147707 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 379 7 2 5 3.8 CCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1 nan
66655585 167514 0 None -199 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 421 5 1 4 4.4 O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4209307 167514 0 None -199 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 421 5 1 4 4.4 O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4299904 167514 0 None -199 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 421 5 1 4 4.4 O=C(O)CN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
66655050 167699 0 None -100 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 419 6 1 4 4.3 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4207361 167699 0 None -100 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 419 6 1 4 4.3 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4302356 167699 0 None -100 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 419 6 1 4 4.3 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(F)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
66655846 167751 0 None -39 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4215002 167751 0 None -39 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
CHEMBL4303021 167751 0 None -39 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assayAgonist activity at human S1P1 receptor expressed in CHO cells assessed as increase in calcium flux by aequorin-derived luminescence assay
ChEMBL 435 6 1 4 4.8 O=C(O)CCN1CCC2(CC1)COc1cc(OCc3c(Cl)cccc3Cl)ccc12 10.1016/j.bmcl.2017.12.018
70687367 73164 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 358 7 0 5 5.1 CCCCN(Cc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011723 73164 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 358 7 0 5 5.1 CCCCN(Cc1ccc(Cl)cc1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
76311231 106076 0 None 7 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
CHEMBL3133603 106076 0 None 7 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
CHEMBL3780292 106076 0 None 7 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
59446824 143877 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 9 2 7 2.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(N)=O)cc3c2)ncn1 nan
CHEMBL3901810 143877 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 407 9 2 7 2.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(N)=O)cc3c2)ncn1 nan
118716188 114905 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 450 10 4 7 1.9 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3342013 114905 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 450 10 4 7 1.9 NC(CO)(CCc1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
118716157 114890 0 None 23 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 412 12 4 6 2.8 CCCCCc1nc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)co1 10.1016/j.ejmech.2014.07.081
CHEMBL3341935 114890 0 None 23 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 412 12 4 6 2.8 CCCCCc1nc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)co1 10.1016/j.ejmech.2014.07.081
168283175 192892 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5189040 192892 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222050 192892 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 390 5 1 5 3.7 CC(C)(C)c1ccc(-n2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
57570490 87598 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 416 10 2 4 5.2 C/C(=N\OCc1ccc(-c2ccc(C)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336074 87598 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 416 10 2 4 5.2 C/C(=N\OCc1ccc(-c2ccc(C)cc2)cc1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
46237046 8891 0 None -1 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 336 3 0 3 4.9 Cc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O 10.1021/jm100181s
CHEMBL1097526 8891 0 None -1 2 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 336 3 0 3 4.9 Cc1ccccc1/C=C1\S/C(=N\C(C)C)N(c2ccccc2)C1=O 10.1021/jm100181s
25182766 7623 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 403 5 2 6 2.5 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
CHEMBL1088176 7623 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 403 5 2 6 2.5 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
25182766 7623 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 403 5 2 6 2.5 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1088176 7623 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 403 5 2 6 2.5 Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
25182759 6200 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 340 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081271 6200 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 340 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
76311230 106070 0 None 26 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 441 12 4 5 3.7 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2F)cc1 10.1039/C3MD00079F
CHEMBL3133598 106070 0 None 26 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 441 12 4 5 3.7 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2F)cc1 10.1039/C3MD00079F
76322119 106085 0 None 4 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 423 12 4 5 3.6 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133612 106085 0 None 4 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 423 12 4 5 3.6 CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
168292888 192088 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 7 1 5 3.4 CCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5202986 192088 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 7 1 5 3.4 CCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
25182759 6200 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
CHEMBL1081271 6200 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 2 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1 nan
71456056 84110 1 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 374 6 0 6 3.5 COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccncc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207771 84110 1 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 374 6 0 6 3.5 COCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccncc2)s1 10.1016/j.bmcl.2012.09.110
24956674 8855 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 372 4 1 4 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097103 8855 0 None 2 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 372 4 1 4 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
56949141 148134 0 None 48 2 Human 7.2 pEC50 = 7.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 348 5 1 5 4.5 Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 nan
CHEMBL3935426 148134 0 None 48 2 Human 7.2 pEC50 = 7.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 348 5 1 5 4.5 Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 nan
53326615 57988 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.2 O=C(O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672552 57988 0 None - 1 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.2 O=C(O)C1CN(Cc2ccc(-c3cn4cc(Cc5ccccc5)ccc4n3)c(F)c2)C1 10.1021/ml100228m
25182768 144161 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 5 2 6 2.1 CN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1 nan
CHEMBL3904009 144161 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 5 2 6 2.1 CN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ncn1)C1CCCCC1 nan
25182917 152945 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 338 6 2 5 3.2 CCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C nan
CHEMBL3975047 152945 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 338 6 2 5 3.2 CCCN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C(C)C nan
44422605 85573 0 None -2 3 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 329 11 3 3 3.1 CCCCCCc1ccc(OC[C@@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL228103 85573 0 None -2 3 Human 7.2 pEC50 = 7.2 Functional
Activity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P1 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assay
ChEMBL 329 11 3 3 3.1 CCCCCCc1ccc(OC[C@@H](N)CCP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
49835989 67902 1 None 3 3 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 353 4 0 4 4.4 CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
CHEMBL1910681 67902 1 None 3 3 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 353 4 0 4 4.4 CC/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
70689617 73628 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 414 4 2 3 5.3 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1021/ml2001399
CHEMBL2017806 73628 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysisAgonist activity at human S1P1 expressed in U2OS cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopic analysis
ChEMBL 414 4 2 3 5.3 COc1ccccc1C(=O)NC(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 10.1021/ml2001399
44547555 68361 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 447 6 1 6 4.1 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(OC(F)(F)F)cc4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916579 68361 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 447 6 1 6 4.1 O=C(O)CCC(=O)N1CCc2cc(-c3noc(-c4ccc(OC(F)(F)F)cc4)n3)ccc21 10.1016/j.bmcl.2011.05.110
57398870 69870 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
CHEMBL1938922 69870 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysisAgonist activity at human S1P1 receptor expressed in U20S cells coexpressing eGFP assessed as receptor internalization after 1 hr by microscopy analysis
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1 10.1016/j.bmcl.2011.10.069
118716137 114868 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 7 2.3 CCc1ccc(Cn2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341915 114868 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 460 11 4 7 2.3 CCc1ccc(Cn2cc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)nn2)cc1 10.1016/j.ejmech.2014.07.081
25182934 154244 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 366 8 2 6 2.5 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL3986235 154244 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 366 8 2 6 2.5 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
127046323 140012 0 None 79 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 11 3 8 2.8 CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3800093 140012 0 None 79 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 496 11 3 8 2.8 CCc1cc(-c2noc(-c3cc(C)c(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
118716149 114881 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 408 9 4 7 2.3 NC(CO)(CCc1ccc(-c2coc(-c3ccco3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341927 114881 0 None - 1 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 408 9 4 7 2.3 NC(CO)(CCc1ccc(-c2coc(-c3ccco3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
25182910 6124 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080880 6124 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 10.1016/j.bmcl.2010.01.102
11452022 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2017.02.011
6996 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2017.02.011
CHEMBL366208 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2017.02.011
118707012 112994 0 None 28 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 435 12 3 5 3.5 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2017.02.011
CHEMBL3311106 112994 0 None 28 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay
ChEMBL 435 12 3 5 3.5 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2017.02.011
11452022 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmc.2014.05.035
6996 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmc.2014.05.035
CHEMBL366208 3594 39 None -1 6 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmc.2014.05.035
118707012 112994 0 None 28 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 435 12 3 5 3.5 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmc.2014.05.035
CHEMBL3311106 112994 0 None 28 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assayAgonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]GTPgammaS binding assay
ChEMBL 435 12 3 5 3.5 Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmc.2014.05.035
46224767 199296 0 None 14 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 293 2 0 4 3.2 Cc1nn(C(=O)/C=C/c2ccncc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL590383 199296 0 None 14 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 293 2 0 4 3.2 Cc1nn(C(=O)/C=C/c2ccncc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
11852146 105577 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 429 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN 10.1021/jm401456d
CHEMBL3122010 105577 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 429 8 2 5 4.7 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCC(O)CN 10.1021/jm401456d
69263869 104707 0 None -1 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 436 6 1 5 6.0 CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O 10.1021/jm4014373
CHEMBL3105479 104707 0 None -1 4 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 436 6 1 5 6.0 CCc1cc(-c2noc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)n2)cc(C)c1CCC(=O)O 10.1021/jm4014373
163322144 192778 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5176383 192778 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5221331 192778 0 None - 1 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 428 7 1 5 4.5 CC(C)Oc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
44217170 139746 0 None 446 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798420 139746 0 None 446 2 Human 8.2 pEC50 = 8.2 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3ccc(CN(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
57392979 68302 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916402 68302 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
44565738 189751 0 None 4 4 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 445 11 4 5 3.8 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL515917 189751 0 None 4 4 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 445 11 4 5 3.8 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
49872066 139808 0 None 95 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 524 11 3 9 3.6 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
CHEMBL3798839 139808 0 None 95 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDPAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes incubated for 30 mins by [35S]GTPgammaS binding assay in presence of GDP
ChEMBL 524 11 3 9 3.6 CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.020
46195468 152515 0 None 5 2 Human 8.1 pEC50 = 8.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3ccc4c(c3)CN(CC(N)(CO)CO)C4)no2)cc1OCC nan
CHEMBL3971409 152515 0 None 5 2 Human 8.1 pEC50 = 8.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 454 10 3 9 2.2 CCOc1ccc(-c2nc(-c3ccc4c(c3)CN(CC(N)(CO)CO)C4)no2)cc1OCC nan
44137252 75780 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 442 6 2 6 5.0 CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
CHEMBL2048292 75780 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 442 6 2 6 5.0 CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)cc1C#N 10.1016/j.bmcl.2012.04.129
57400521 70923 0 None 794 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.6 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(C)c2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951319 70923 0 None 794 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.6 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)c(C)c2)n1 10.1016/j.bmcl.2011.12.019
69669192 159365 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 375 4 0 4 4.6 CC(C)Oc1ccc(C#Cc2ccc(Cn3ccnc3)cc2Cl)cc1C#N 10.1021/acs.jmedchem.6b01575
CHEMBL4100453 159365 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysisAgonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysis
ChEMBL 375 4 0 4 4.6 CC(C)Oc1ccc(C#Cc2ccc(Cn3ccnc3)cc2Cl)cc1C#N 10.1021/acs.jmedchem.6b01575
118716140 114871 0 None 147 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 448 10 4 7 2.7 COc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
CHEMBL3341918 114871 0 None 147 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 448 10 4 7 2.7 COc1ccc(-c2nc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)co2)cc1 10.1016/j.ejmech.2014.07.081
44412657 140140 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 461 8 1 6 5.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCCC(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL380235 140140 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 461 8 1 6 5.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCCC(F)(F)F)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
59202018 105530 0 None 75 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 447 12 3 6 3.2 Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
CHEMBL3121963 105530 0 None 75 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 447 12 3 6 3.2 Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm401456d
10883396 3647 45 None -1 15 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
5283560 3647 45 None -1 15 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
911 3647 45 None -1 15 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
CHEMBL225155 3647 45 None -1 15 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
66852776 159402 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 403 6 1 3 4.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC3Cc4ccccc4C3)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4100785 159402 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 403 6 1 3 4.2 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCC3Cc4ccccc4C3)ccc21 10.1021/acs.jmedchem.7b00785
25070493 105748 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2nnc(-c3cc(C)nc(N(CC)CC)c3)o2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3126595 105748 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2nnc(-c3cc(C)nc(N(CC)CC)c3)o2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
54576501 76041 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 460 8 1 6 5.0 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
CHEMBL2057284 76041 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity against S1P1 receptor by cell based FRET assayAgonist activity against S1P1 receptor by cell based FRET assay
ChEMBL 460 8 1 6 5.0 CCc1c(CN2CC(C(=O)O)C2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 10.1021/jm2016107
54756908 65963 0 None 794 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 434 7 2 8 2.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)C4)no2)cc1C#N 10.1021/jm200609t
CHEMBL1836214 65963 0 None 794 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells expressing beta-arrestin 2 after 105 mins by chemi-luminescence assay
ChEMBL 434 7 2 8 2.8 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(C(CO)CO)C4)no2)cc1C#N 10.1021/jm200609t
70685210 73178 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 458 6 0 5 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3C)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011740 73178 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 458 6 0 5 6.2 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2ccn3C)s1 10.1016/j.bmcl.2012.02.016
42636618 116387 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 418 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359843 116387 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 418 6 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(CC(=O)O)C4)no2)cc1C#N 10.1021/jm5010336
42636433 116390 0 None 1258 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 455 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3359846 116390 0 None 1258 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 455 7 1 6 4.7 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)CC4)no2)cc1Cl 10.1021/jm5010336
44128987 116391 0 None 1000 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 460 8 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3359847 116391 0 None 1000 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 460 8 1 7 4.3 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CCN(CCCC(=O)O)CC4)no2)cc1C#N 10.1021/jm5010336
44125468 116413 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 355 4 1 5 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360361 116413 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 355 4 1 5 4.4 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CNC4)no2)cc1Cl 10.1021/jm5010336
11313781 58443 0 None 47 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 339 11 2 3 3.8 O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
11313781 58443 0 None 47 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 339 11 2 3 3.8 O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
CHEMBL1683045 58443 0 None 47 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 339 11 2 3 3.8 O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683045 58443 0 None 47 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 339 11 2 3 3.8 O=C(O)CCNC/C=C/c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.05.029
57391920 69884 0 None 21 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/ml200252b
CHEMBL1938937 69884 0 None 21 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/ml200252b
57391920 69884 0 None 21 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
CHEMBL1938937 69884 0 None 21 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye stainingAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization into cytoplasm using Hoechst dye staining
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1016/j.bmcl.2011.10.085
25182758 6199 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 nan
CHEMBL1081270 6199 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 nan
25182758 6199 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
CHEMBL1081270 6199 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
25008421 86573 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 495 8 3 4 6.0 C[C@](N)(CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
CHEMBL2315820 86573 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in HEK293T cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 495 8 3 4 6.0 C[C@](N)(CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
70681812 75268 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cc(CO)ccc21 10.1021/ml200252b
CHEMBL2037120 75268 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 452 4 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cc(CO)ccc21 10.1021/ml200252b
25183066 148938 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 421 9 1 5 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1 nan
CHEMBL3941952 148938 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 421 9 1 5 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCC3=O)cc2C)ncn1 nan
11852142 105571 0 None 63 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 414 8 1 4 5.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCO 10.1021/jm401456d
CHEMBL3122004 105571 0 None 63 2 Human 7.2 pEC50 = 7.2 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 414 8 1 4 5.8 Cc1cc(CCC(=O)c2sc(C)c3c2CCC(C)(C)C3)cc(C)c1OCCCO 10.1021/jm401456d
56948777 145069 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 400 5 0 3 6.6 FC(F)(F)c1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3911469 145069 0 None - 1 Human 6.2 pEC50 = 6.2 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 400 5 0 3 6.6 FC(F)(F)c1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
76336569 106079 0 None 9 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 435 13 4 4 3.5 CCCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3133606 106079 0 None 9 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 435 13 4 4 3.5 CCCCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
46236518 8896 0 None 4 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1C 10.1021/jm100181s
CHEMBL1097535 8896 0 None 4 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 3 1 4 5.5 Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c1C 10.1021/jm100181s
168273677 190370 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 8 0 6 3.9 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5177232 190370 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 404 8 0 6 3.9 CCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
57390239 67906 0 None -5 4 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 339 3 0 4 3.7 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910687 67906 0 None -5 4 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 339 3 0 4 3.7 C/N=C1\S/C(=C\c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
16737509 57358 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 390 5 1 4 5.1 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)nc2)C1 10.1021/ml100227q
CHEMBL1651715 57358 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingAgonist activity at human S1P1R expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding
ChEMBL 390 5 1 4 5.1 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)nc2)C1 10.1021/ml100227q
59447060 146928 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 493 10 2 7 4.7 CC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL3925848 146928 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 493 10 2 7 4.7 CC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
1093791 52845 12 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 298 3 0 3 4.1 Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)no2)cc1 nan
CHEMBL1595424 52845 12 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 298 3 0 3 4.1 Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)no2)cc1 nan
72793739 104450 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1ccc(OC)c(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1 10.1021/jm4014373
CHEMBL3103678 104450 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1ccc(OC)c(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1 10.1021/jm4014373
25182778 7577 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 393 7 2 5 3.4 NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1087785 7577 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 393 7 2 5 3.4 NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182778 7577 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 393 7 2 5 3.4 NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087785 7577 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 393 7 2 5 3.4 NC(=O)c1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
46880279 6119 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 351 4 2 6 2.8 CN(c1cc(C(=O)Nc2ccc3[nH]nnc3c2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
CHEMBL1080863 6119 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 351 4 2 6 2.8 CN(c1cc(C(=O)Nc2ccc3[nH]nnc3c2)ncn1)C1CCCCC1 10.1016/j.bmcl.2010.01.102
118716144 114876 0 None 28 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 502 10 4 7 3.6 NC(CO)(CCc1ccc(-c2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341922 114876 0 None 28 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 502 10 4 7 3.6 NC(CO)(CCc1ccc(-c2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
166559063 192049 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 0 6 5.0 COC(=O)C1CCN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5202350 192049 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 0 6 5.0 COC(=O)C1CCN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(Cl)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
56949137 150590 0 None 8 2 Human 6.1 pEC50 = 6.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 nan
CHEMBL3955131 150590 0 None 8 2 Human 6.1 pEC50 = 6.1 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with MULTIDROP. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the VELOCITY11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 ul) was added to each well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 nan
53318790 57992 0 None 8 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.2 O=C(O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672556 57992 0 None 8 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 415 6 1 4 4.2 O=C(O)C1CN(Cc2ccc(-c3cn4ccc(Cc5ccccc5)cc4n3)c(F)c2)C1 10.1021/ml100228m
72793738 104448 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1cccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1OC 10.1021/jm4014373
CHEMBL3103676 104448 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 371 5 1 4 4.3 COc1cccc(CNC(=O)c2sc(C)c3c2C[C@@H]2[C@H]3C2(C)C)c1OC 10.1021/jm4014373
4097071 35895 10 None 1 2 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 400 5 0 5 5.1 COc1cccc(C2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC nan
CHEMBL1442207 35895 10 None 1 2 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 400 5 0 5 5.1 COc1cccc(C2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC nan
57397066 70910 0 None 199 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.9 CC(C)c1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951306 70910 0 None 199 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 475 8 1 7 5.9 CC(C)c1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3)cc2)n1 10.1016/j.bmcl.2011.12.019
57398268 68310 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 397 2 1 3 5.9 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916411 68310 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 397 2 1 3 5.9 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
46236933 9052 0 None -7 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.3 CC(C)/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1098771 9052 0 None -7 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 338 3 1 4 4.3 CC(C)/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
44136093 75777 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 495 4 2 4 6.4 O=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cc21 10.1016/j.bmcl.2012.04.129
CHEMBL2048289 75777 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against human S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 495 4 2 4 6.4 O=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cc21 10.1016/j.bmcl.2012.04.129
53322738 58002 0 None 22 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1ccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)cc1 10.1021/ml100228m
CHEMBL1672566 58002 0 None 22 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 446 6 1 4 5.5 Cc1ccc(Cc2ccc3sc(-c4ccc(CN5CC(C(=O)O)C5)cc4F)nc3c2)cc1 10.1021/ml100228m
46236404 8959 0 None 1 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 10.1021/jm100181s
CHEMBL1098142 8959 0 None 1 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 386 3 1 4 5.2 Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)cc1 10.1021/jm100181s
46194746 149684 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 430 7 3 8 2.1 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
CHEMBL3947633 149684 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 430 7 3 8 2.1 COc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl nan
9550812 24515 9 None -3 3 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 1 0 6 2.2 Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1342332 24515 9 None -3 3 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 1 0 6 2.2 Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
59446835 142962 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 1 7 2.9 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3cncn3)c2)ncn1 nan
CHEMBL3894305 142962 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 377 8 1 7 2.9 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3cncn3)c2)ncn1 nan
76332613 105549 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 446 9 3 6 3.7 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@](C)(O)CC2 10.1021/jm401456d
CHEMBL3121983 105549 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 446 9 3 6 3.7 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@](C)(O)CC2 10.1021/jm401456d
70687369 73182 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 446 6 1 5 5.3 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc3c(c2)CNC3)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011744 73182 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 446 6 1 5 5.3 CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc3c(c2)CNC3)s1 10.1016/j.bmcl.2012.02.016
44129063 116418 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4)no2)cc1Cl 10.1021/jm5010336
CHEMBL3360366 116418 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 385 4 1 6 4.3 CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4)no2)cc1Cl 10.1021/jm5010336
44129218 116424 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 376 4 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCNC4)no2)cc1C#N 10.1021/jm5010336
CHEMBL3360372 116424 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 minsAgonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins
ChEMBL 376 4 1 7 3.5 CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCNC4)no2)cc1C#N 10.1021/jm5010336
25182624 153336 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 3 5 3.5 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O nan
CHEMBL3978322 153336 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 326 4 3 5 3.5 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O nan
3212808 73156 4 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
CHEMBL2011713 73156 4 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assayAgonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay
ChEMBL 372 6 0 5 4.7 CCCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1 10.1016/j.bmcl.2012.02.016
57392608 70687 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 403 6 1 4 5.5 NCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
CHEMBL1950560 70687 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysisAgonist activity at eGFP-tagged human S1P1 receptor expressed in U2OS cells assessed as receptor internalization after 1 hr by Hoechst dye-based microscopic analysis
ChEMBL 403 6 1 4 5.5 NCCCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1 10.1016/j.bmcl.2011.12.073
70685583 74165 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(O[C@H](C)CC)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
CHEMBL2022911 74165 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 470 9 1 6 6.1 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(O[C@H](C)CC)c(C)c2)s1 10.1016/j.bmcl.2012.03.067
70683922 75272 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 5 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCO)cc21 10.1021/ml200252b
CHEMBL2037124 75272 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 466 5 2 4 5.0 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccc(CCO)cc21 10.1021/ml200252b
57570504 87603 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 488 10 2 4 6.0 C/C(=N\OCc1ccc(-c2ccccc2F)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336079 87603 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 488 10 2 4 6.0 C/C(=N\OCc1ccc(-c2ccccc2F)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
44219368 139721 0 None 251 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3798218 139721 0 None 251 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 482 11 3 8 2.5 CCc1cc(-c2noc(-c3cc(C)cc(CN(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
42630194 75775 0 None -2 5 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
CHEMBL2048287 75775 0 None -2 5 Mouse 8.1 pEC50 = 8.1 Functional
Agonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assayAgonist activity against mouse S1P1 assessed as accumulation of cAMP by HTRF assay
ChEMBL 468 5 2 6 5.2 N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)O)no2)c1 10.1016/j.bmcl.2012.04.129
168295300 192200 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5204567 192200 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 440 7 0 7 4.0 COC(=O)C1CN(Cc2ccc(-n3cc(-c4ccc(OC(C)C)c(Cl)c4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
76318196 105759 0 None 446 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 12 3 8 3.1 CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126606 105759 0 None 446 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 482 12 3 8 3.1 CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OCC(O)CNC(=O)CO 10.1021/jm4014696
57396699 70897 0 None 537 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951152 70897 0 None 537 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 433 7 1 7 4.8 O=C(O)C1CN(Cc2cc(-c3noc(-c4ccc(Oc5ccccc5)cc4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
11978050 70913 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 479 8 1 7 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3F)cc2)n1 10.1016/j.bmcl.2011.12.019
CHEMBL1951309 70913 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 479 8 1 7 5.5 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1noc(-c2ccc(Oc3ccccc3F)cc2)n1 10.1016/j.bmcl.2011.12.019
127048141 139783 0 None 102 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 511 13 3 9 2.7 CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1016/j.ejmech.2016.03.048
CHEMBL3798697 139783 0 None 102 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 511 13 3 9 2.7 CCCN(C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 10.1016/j.ejmech.2016.03.048
166559106 192934 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5192922 192934 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
CHEMBL5222307 192934 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 456 7 1 5 5.3 CC(C)Oc1ccc(C2CC(c3ccc(CN4CCC(C(=O)O)CC4)cc3)=NO2)cc1Cl 10.1021/acs.jmedchem.1c01979
76329311 106084 0 None -1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 415 12 4 5 3.1 CCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2O1 10.1039/C3MD00079F
CHEMBL3133611 106084 0 None -1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 415 12 4 5 3.1 CCCCCCC1CCc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2O1 10.1039/C3MD00079F
59446911 143177 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 393 9 1 5 3.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC3)cc2C)ncn1 nan
CHEMBL3896108 143177 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 393 9 1 5 3.9 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCC3)cc2C)ncn1 nan
70681813 75270 0 None 69 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 451 4 2 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CN)c21 10.1021/ml200252b
CHEMBL2037122 75270 0 None 69 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 451 4 2 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccc(CN)c21 10.1021/ml200252b
71711505 103921 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 511 13 2 3 6.4 Cc1ccc(CC(CCC[S+]([O-])c2ccc(CNCCC(=O)O)cc2)c2cccc(Cl)c2)cc1C 10.1021/ml400360y
CHEMBL3092447 103921 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Modulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysisModulation of human S1P1 receptor assessed as increase in agonist-induced [35S]GTPgamma binding after 30 mins by cell-based beta counting analysis
ChEMBL 511 13 2 3 6.4 Cc1ccc(CC(CCC[S+]([O-])c2ccc(CNCCC(=O)O)cc2)c2cccc(Cl)c2)cc1C 10.1021/ml400360y
168269759 190056 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 9 0 6 4.3 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5172318 190056 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 9 0 6 4.3 CCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)OC)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
59447012 146209 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 11 2 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CC(=O)O)cc2C)ncn1 nan
CHEMBL3920176 146209 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 425 11 2 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CC(=O)O)cc2C)ncn1 nan
57395471 67918 0 None -7 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 389 4 0 4 4.7 CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
CHEMBL1910800 67918 0 None -7 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 389 4 0 4 4.7 CC/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1CC 10.1016/j.bmcl.2011.09.049
1776080 67891 7 None -3 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 343 2 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
CHEMBL1910655 67891 7 None -3 3 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptorAgonist activity at S1P1 receptor
ChEMBL 343 2 0 4 3.8 C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N1C 10.1016/j.bmcl.2011.09.049
59446934 144417 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 12 2 6 3.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCOC)cc2C)ncn1 nan
CHEMBL3906245 144417 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 411 12 2 6 3.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCOC)cc2C)ncn1 nan
58329614 116346 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 5 1 4 5.1 N#Cc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359516 116346 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assayAgonist activity at human S1P1 receptor assessed as cAMP accumulation by HTRF assay
ChEMBL 414 5 1 4 5.1 N#Cc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
168268684 192771 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5169412 192771 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5221249 192771 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 376 6 1 5 3.6 CC(C)c1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
44412854 165929 0 None 4 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 376 5 1 4 5.4 Cc1cc(CC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL425058 165929 0 None 4 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 376 5 1 4 5.4 Cc1cc(CC(=O)O)ccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 10.1016/j.bmcl.2006.04.084
76318446 106086 0 None 4 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 457 11 4 5 3.8 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
CHEMBL3133613 106086 0 None 4 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 457 11 4 5 3.8 NC(CO)(CCc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1)COP(=O)(O)O 10.1039/C3MD00079F
57398469 70894 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 417 6 1 6 4.6 O=C(O)C1CN(Cc2cc(-c3noc(-c4cccc(-c5ccccc5)c4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
CHEMBL1951148 70894 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 417 6 1 6 4.6 O=C(O)C1CN(Cc2cc(-c3noc(-c4cccc(-c5ccccc5)c4)n3)cs2)C1 10.1016/j.bmcl.2011.12.019
76317347 104446 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 327 4 1 4 2.3 COc1ccccc1CNC(=O)C1=NN(C)C2C1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103673 104446 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 327 4 1 4 2.3 COc1ccccc1CNC(=O)C1=NN(C)C2C1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
904918 200104 9 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 294 3 0 3 3.8 Cc1nn(C(=O)CCc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
CHEMBL596052 200104 9 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assayAgonist activity at human SIP1 receptor expressed in CHO cells by [35S]GTPgammaS binding assay
ChEMBL 294 3 0 3 3.8 Cc1nn(C(=O)CCc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1016/j.bmcl.2009.11.045
76329074 105753 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 426 9 3 8 1.8 CCc1cc(-c2noc(-c3ccnc(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126600 105753 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 426 9 3 8 1.8 CCc1cc(-c2noc(-c3ccnc(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
166559129 191002 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 476 7 0 6 5.0 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C(F)(F)F)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5186672 191002 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 476 7 0 6 5.0 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C(F)(F)F)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
59446825 153119 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 436 10 2 7 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)OC)c3c2)ncn1 nan
CHEMBL3976411 153119 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 436 10 2 7 3.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)OC)c3c2)ncn1 nan
76321771 105548 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 432 9 3 6 3.3 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@H](O)CC2 10.1021/jm401456d
CHEMBL3121982 105548 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as membrane-bound 35S-GTPgammaS incubated 30 mins prior to substrate addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 432 9 3 6 3.3 CCc1sc(C(=O)CCc2cc(C)c(OCC(O)CO)c(C)c2)c2c1C[C@@H](O)CC2 10.1021/jm401456d
46237176 8861 0 None -6 2 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 7 2 6 3.3 CC(C)/N=C1\S/C(=C\c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097183 8861 0 None -6 2 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 412 7 2 6 3.3 CC(C)/N=C1\S/C(=C\c2ccc(OC(CO)CO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
168275165 190649 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 402 5 1 5 3.5 O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5181453 190649 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 402 5 1 5 3.5 O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
168282241 190962 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 10 1 5 4.6 CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5185995 190962 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 418 10 1 5 4.6 CCCCCCc1ccc(-c2cn(-c3ccc(CN4CC(C(=O)O)C4)cc3)nn2)cc1 10.1021/acs.jmedchem.1c01979
46236663 8524 0 None -1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 432 5 1 6 4.9 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(OC)c1 10.1021/jm100181s
CHEMBL1094246 8524 0 None -1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 432 5 1 6 4.9 COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)S/C2=N\C(C)C)c(OC)c1 10.1021/jm100181s
9550767 24377 9 None -2 2 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 1 0 6 2.2 Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 nan
CHEMBL1341200 24377 9 None -2 2 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 328 1 0 6 2.2 Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1 nan
76336567 106075 0 None 1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 432 9 4 6 3.0 Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
CHEMBL3133602 106075 0 None 1 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 432 9 4 6 3.0 Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
168275165 190649 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 402 5 1 5 3.5 O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5181453 190649 0 None - 1 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 402 5 1 5 3.5 O=C(O)C1CN(Cc2ccc(-n3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)C1 10.1021/acs.jmedchem.1c01979
44412702 78710 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 7 1 5 4.3 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)nc2)n1 10.1016/j.bmcl.2006.04.084
CHEMBL211255 78710 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptakeAgonist activity at S1P1 receptor expressed in CHO cells measured as S1P-induced [35S]GTP-gamma-S uptake
ChEMBL 365 7 1 5 4.3 Cc1cc(CCC(=O)O)ccc1-c1noc(-c2ccc(CC(C)C)nc2)n1 10.1016/j.bmcl.2006.04.084
46195605 152464 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 439 9 4 9 1.8 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1N nan
CHEMBL3971014 152464 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.[35S]-GTPgamaS Binding Assay: Selected Compounds of the Examples were evaluated at Millipore Corporation, USA, using S1P1 receptor; [35S]-GTPgamaS binding assay. A [35S]-GTPgamaS binding assay at Millipore was conducted by GPCR Profiler Custom Service Laboratory, Temecula, Calif., Millipore, Inc. to monitor dose-dependent agonist selectivity for selected Examples against the S1P1 receptors. The assay was completed with sample compounds subjected to an eight-point, four-fold dose response curve with starting concentration of 10 uM. Selectivity was determined upon initial addition of compounds followed by a 30 minute incubation at 30° C. Following compound incubation, bounded [35S]-GTPgamaS was determined by filtration and scintillation counting. Independently, selected compounds were evaluated for S1P1 and S1P3 agonistic activity. The S1P1 assay system was GTPgama-S35 binding in membranes from CHO K1 cells, expressing S1P1 human receptor. The S1P3 assay system was calcium mobilization in CHO K1 cells expression.
ChEMBL 439 9 4 9 1.8 CCCOc1ccc(-c2nc(-c3cccc4c3CCN4CC(N)(CO)CO)no2)cc1N nan
25182911 146493 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 471 8 1 6 3.8 Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3922393 146493 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 471 8 1 6 3.8 Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
76322118 106082 0 None 2 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 409 12 4 4 3.7 CCCCCCc1ccc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2c1 10.1039/C3MD00079F
CHEMBL3133609 106082 0 None 2 2 Human 6.1 pEC50 = 6.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 409 12 4 4 3.7 CCCCCCc1ccc2cc(CCC(N)(CO)COP(=O)(O)O)ccc2c1 10.1039/C3MD00079F
76325739 106067 0 None 11 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 462 11 4 7 3.4 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
CHEMBL3133595 106067 0 None 11 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 462 11 4 7 3.4 CCc1nc(-c2ccc(Oc3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1039/C3MD00079F
76321897 105781 0 None 64 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126628 105781 0 None 64 2 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccc(CC(C)C)nc3)n2)cc(C)c1OC[C@H](O)CNC(=O)CO 10.1021/jm4014696
1093740 50188 14 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 270 3 1 3 3.4 O=C(NC1CCCCC1)c1cc(-c2ccccc2)on1 nan
CHEMBL1570751 50188 14 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]PUBCHEM_BIOASSAY: Dose Response Cell-Based Assay for Agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1): Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 1192, 373, 439 ]
ChEMBL 270 3 1 3 3.4 O=C(NC1CCCCC1)c1cc(-c2ccccc2)on1 nan
46880280 6120 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 6 2 5 4.2 O=C(Nc1ccc2[nH]ncc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1080864 6120 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 390 6 2 5 4.2 O=C(Nc1ccc2[nH]ncc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
45377937 84117 0 None 112 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 496 9 1 6 5.1 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)CC3)cc2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207780 84117 0 None 112 2 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 496 9 1 6 5.1 CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CCC(C(=O)O)CC3)cc2)s1 10.1016/j.bmcl.2012.09.110
46880280 6120 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 390 6 2 5 4.2 O=C(Nc1ccc2[nH]ncc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1080864 6120 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 390 6 2 5 4.2 O=C(Nc1ccc2[nH]ncc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
57398603 70592 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 517 11 1 7 6.7 CCCCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
CHEMBL1949690 70592 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma bindingAgonist activity at human S1P1 receptor assessed as stimulation of [35S]GTPgamma binding
ChEMBL 517 11 1 7 6.7 CCCCc1ccccc1Oc1ccc(-c2nc(-c3sc(CN4CC(C(=O)O)C4)cc3CC)no2)cc1 10.1016/j.bmcl.2011.12.019
57570499 87596 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336072 87596 0 None - 1 Human 8.1 pEC50 = 8.1 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 470 10 2 4 5.9 C/C(=N\OCc1ccc(-c2ccccc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
2924 1638 43 None 2 7 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2014.07.081
44398069 1638 43 None 2 7 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2014.07.081
9908268 1638 43 None 2 7 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2014.07.081
CHEMBL114606 1638 43 None 2 7 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.ejmech.2014.07.081
118716142 114874 0 None 61 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 452 9 4 6 3.4 NC(CO)(CCc1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
CHEMBL3341920 114874 0 None 61 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 452 9 4 6 3.4 NC(CO)(CCc1ccc(-c2coc(-c3ccc(Cl)cc3)n2)cc1)COP(=O)(O)O 10.1016/j.ejmech.2014.07.081
11224984 8715 23 None 13 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1095833 8715 23 None 13 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
25182783 150967 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 447 8 2 7 2.5 COCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
CHEMBL3958225 150967 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 447 8 2 7 2.5 COCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
57392979 68302 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
CHEMBL1916402 68302 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptorAgonist activity at human S1P1 receptor
ChEMBL 398 2 1 4 5.3 FC(F)(F)c1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc(C(F)(F)F)c1 10.1016/j.bmcl.2011.05.110
44412970 77655 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 411 8 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCCF)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
CHEMBL208875 77655 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 411 8 1 6 4.4 Cc1cc(CCC(=O)O)ccc1-c1nnc(-c2ccc(OCCF)c(C#N)c2)s1 10.1016/j.bmcl.2006.04.064
76336363 105769 0 None 630 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3ccc(N(CC)CC)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
CHEMBL3126616 105769 0 None 630 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to [35S]-GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 497 12 3 9 2.7 CCc1cc(-c2noc(-c3ccc(N(CC)CC)c(C)n3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/jm4014696
11363176 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1021/jm100181s
5446 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1021/jm100181s
9320 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1096146 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1021/jm100181s
DB12016 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1021/jm100181s
57398267 68303 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 470 5 1 6 5.3 O=C(O)CCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
CHEMBL1916403 68303 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assayAgonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP production after 1 hr by HTRF assay
ChEMBL 470 5 1 6 5.3 O=C(O)CCn1ncc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21 10.1016/j.bmcl.2011.05.110
69144360 104441 0 None 478 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 404 7 1 4 5.2 Cc1sc(C(=O)CCc2ccc(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
CHEMBL3103668 104441 0 None 478 2 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 404 7 1 4 5.2 Cc1sc(C(=O)CCc2ccc(OCCO)c(Cl)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 10.1021/jm4014373
70683465 74140 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
CHEMBL2022708 74140 0 None - 1 Human 7.1 pEC50 = 7.1 Functional
Agonist activity at human S1P1 receptor by [S35]GTPgammaS binding assayAgonist activity at human S1P1 receptor by [S35]GTPgammaS binding assay
ChEMBL 460 8 1 6 5.9 CCc1cc(CN2CC(C(=O)O)C2)sc1-c1ncc(-c2ccc(Oc3ccccc3)cc2)o1 10.1016/j.bmcl.2012.03.067
71450719 84109 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 417 8 0 7 3.7 COCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(OC)c(OC)c2)s1 10.1016/j.bmcl.2012.09.110
CHEMBL2207770 84109 0 None - 1 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at S1P1 receptor by [35S]GTPgammaS binding assayAgonist activity at S1P1 receptor by [35S]GTPgammaS binding assay
ChEMBL 417 8 0 7 3.7 COCCN(C(=O)c1cccc(F)c1)c1nnc(-c2ccc(OC)c(OC)c2)s1 10.1016/j.bmcl.2012.09.110
69144892 104438 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 398 7 1 4 5.2 Cc1cc(OCCO)cc(C)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103665 104438 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 398 7 1 4 5.2 Cc1cc(OCCO)cc(C)c1CCC(=O)c1sc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
25182772 145272 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 433 8 3 7 1.8 CN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCO)cc2)ncn1)C1CCCCC1 nan
CHEMBL3912944 145272 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 433 8 3 7 1.8 CN(c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCO)cc2)ncn1)C1CCCCC1 nan
76336568 106008 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 407 11 4 4 2.8 CCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
CHEMBL3132869 106008 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 407 11 4 4 2.8 CCc1ccc(CCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1 10.1039/C3MD00079F
46236666 8787 0 None -5 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 5 1 4 5.0 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1 10.1021/jm100181s
CHEMBL1096541 8787 0 None -5 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 400 5 1 4 5.0 CC(C)/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1CCc1ccccc1 10.1021/jm100181s
118716138 114869 0 None 20 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 412 12 4 7 1.9 CCCCCn1cc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)nn1 10.1016/j.ejmech.2014.07.081
CHEMBL3341916 114869 0 None 20 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assayAgonist activity at human S1P1 receptor expressed in CHO cells preincubated for 2 hrs before IP1 addition by IP1-HTRF assay
ChEMBL 412 12 4 7 1.9 CCCCCn1cc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)nn1 10.1016/j.ejmech.2014.07.081
23121592 58446 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C/CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
CHEMBL1683048 58446 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levelsAgonist activity at human S1P1 receptor expressed in CHO cells assessed as intracellular calcium levels
ChEMBL 353 11 2 3 4.2 C/C(=C/CNCCC(=O)O)c1ccc(OCCCc2ccccc2)cc1 10.1016/j.bmcl.2011.01.029
76332957 106083 0 None 1 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 409 12 4 4 3.7 CCCCCCc1ccc2c(CCC(N)(CO)COP(=O)(O)O)cccc2c1 10.1039/C3MD00079F
CHEMBL3133610 106083 0 None 1 2 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells preincubated for 2 hrs followed by D2-labeled IP1 and Ab-Cryp addition measured after 1 hr by fluorescence assay
ChEMBL 409 12 4 4 3.7 CCCCCCc1ccc2c(CCC(N)(CO)COP(=O)(O)O)cccc2c1 10.1039/C3MD00079F
135656247 72604 6 None -7 2 Human 4.0 pEC50 = 4.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 277 2 3 5 1.1 C/C(=N/NC(N)=S)c1cc2ccc(O)cc2oc1=O nan
CHEMBL1993778 72604 6 None -7 2 Human 4.0 pEC50 = 4.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1509, AID1523, AID1801, AID463107, AID463118, AID463119, AID463122, AID463123, AID463129, AID463225, AID504400, AID504460]
ChEMBL 277 2 3 5 1.1 C/C(=N/NC(N)=S)c1cc2ccc(O)cc2oc1=O nan
25182925 7938 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090422 7938 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
44412721 78052 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 6 1 7 4.0 CC(=O)Oc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
CHEMBL209988 78052 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 407 6 1 7 4.0 CC(=O)Oc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
25182925 7938 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1090422 7938 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
53317713 57991 0 None 5 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 416 6 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 10.1021/ml100228m
CHEMBL1672555 57991 0 None 5 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hrAgonist activity at human S1P1 receptor expressed in human U2OS cells co-expressing eGFP assessed as receptor internalization after 1 hr
ChEMBL 416 6 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4o3)c(F)c2)C1 10.1021/ml100228m
44625750 87605 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 484 10 2 4 6.2 C/C(=N\OCc1ccc(-c2ccc(C)cc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
CHEMBL2336081 87605 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assayAgonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by GTPgamma35S binding assay
ChEMBL 484 10 2 4 6.2 C/C(=N\OCc1ccc(-c2ccc(C)cc2)c(C(F)(F)F)c1)c1ccc(CNCCC(=O)O)cc1 10.1021/ml300396r
11315069 8920 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 6 1 5 3.9 CC(C)/N=C1\S/C(=C\c2ccc(OCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097801 8920 0 None 1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 382 6 1 5 3.9 CC(C)/N=C1\S/C(=C\c2ccc(OCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
127048144 139993 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 509 11 3 9 2.4 CCc1cc(-c2noc(-c3cc(C)nc(CN4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3799964 139993 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 509 11 3 9 2.4 CCc1cc(-c2noc(-c3cc(C)nc(CN4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
166559054 191337 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 433 7 0 7 3.8 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C#N)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
CHEMBL5191622 191337 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter CHO-K1 EDG1 beta-arrestin cells assessed as induction of beta-arrestin 2 recruitment incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 433 7 0 7 3.8 COC(=O)C1CN(Cc2ccc(C3=NOC(c4ccc(OC(C)C)c(C#N)c4)C3)cc2)C1 10.1021/acs.jmedchem.1c01979
25182751 7491 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
CHEMBL1087139 7491 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
25182751 7491 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
CHEMBL1087139 7491 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 10.1016/j.bmcl.2010.01.102
46881877 7103 0 None -1 4 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 359 13 2 5 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL1085191 7103 0 None -1 4 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS bindingAgonist activity at human S1P1 receptor expressed in CHO cells assessed as induction of [S35]GTPgammaS binding
ChEMBL 359 13 2 5 3.8 CCCCCCCOc1ccc(CC[C@](C)(N)CCc2nnn[nH]2)cc1 10.1016/j.bmcl.2010.01.118
44412840 76820 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 379 6 1 6 4.1 COc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
CHEMBL206939 76820 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S bindingAgonist activity at S1P1 receptor assessed as induction of [35S]GTP-gamma-S binding
ChEMBL 379 6 1 6 4.1 COc1ccc(-c2nnc(-c3ccc(CCC(=O)O)cc3C)s2)cc1C#N 10.1016/j.bmcl.2006.04.064
23121505 156295 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 431 7 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC3CCCc4ccccc43)ccc21 10.1021/acs.jmedchem.7b00785
CHEMBL4065407 156295 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence methodAgonist activity at human S1P1 receptor expressed in CHO-K1 cells assessed as increase in S1P-stimulated calcium influx preincubated for 5 mins followed by S1P stimulation measured every 3 secs by fluorescence method
ChEMBL 431 7 1 3 5.3 CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCC3CCCc4ccccc43)ccc21 10.1021/acs.jmedchem.7b00785
72793717 104444 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 325 3 1 4 3.3 COc1ccccc1CNC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
CHEMBL3103671 104444 0 None - 1 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysisAgonist activity at human recombinant S1P1 receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount scintillation counting analysis
ChEMBL 325 3 1 4 3.3 COc1ccccc1CNC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C 10.1021/jm4014373
127046096 139603 0 None 12 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
CHEMBL3797452 139603 0 None 12 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysisAgonist activity at human recombinant S1PR1 expressed in CHO cell membranes assessed as [35S]GTPgammaS binding preincubated for 30 mins followed by [35S]GTPgammaS addition measured after 1 hr by topcount analysis
ChEMBL 524 13 3 8 3.5 CCc1cc(-c2noc(-c3ccc(C)c(CN(C)CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1016/j.ejmech.2016.03.048
25182761 6198 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.9 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 nan
CHEMBL1081269 6198 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).35S-GTPgammaS Binding: Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElmer) with test compounds diluted in DMSO, in 180 ul of 20 mM HEPES, pH 7.4, 10 mM MgCl2, 2 ug/well Saponin, 0.2% fatty acid free BSA (Assay buffer), 140 mM NaCl and 1.7 uM GDP. The assay was initiated with the addition of 20 ul of 1.5 nM [35S]-GTPgammaS (1100 Ci/mmol; GE Healthcare) in assay buffer. After 60 min incubation at 30° C. on a shaker, plates were centrifuged for 10 min at 2000 RPM. Supernatant was discarded and membrane bound radioactivity was measured on a PerkinElmer 1450 MicroBeta counter. Triplicate samples were averaged and expressed as % response relative to S1P activation in absence of compound (n=2).
ChEMBL 340 4 3 5 3.9 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 nan
166559136 193035 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5208384 193035 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
CHEMBL5222901 193035 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader methodAgonist activity at S1P1 receptor (unknown origin) expressed in PathHunter HEK 293 EDG1 Total GPCR Internalization cells assessed as receptor internalization incubated for 90 mins by measuring chemiluminescence signal by microplate reader method
ChEMBL 364 6 1 4 3.6 CCc1ccc(C2CC(c3ccc(CN4CC(C(=O)O)C4)cc3)=NO2)cc1 10.1021/acs.jmedchem.1c01979
25182761 6198 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 340 4 3 5 3.9 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
CHEMBL1081269 6198 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayAgonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay
ChEMBL 340 4 3 5 3.9 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 10.1016/j.bmcl.2010.01.102
46237051 8919 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 380 6 1 4 4.5 CC(C)/N=C1\S/C(=C\c2ccc(CCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1097800 8919 0 None -1 2 Human 7.0 pEC50 = 7.0 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 380 6 1 4 4.5 CC(C)/N=C1\S/C(=C\c2ccc(CCCO)cc2)C(=O)N1c1ccccc1 10.1021/jm100181s
67169024 151771 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3964923 151771 0 None - 1 Human 6.0 pEC50 = 6.0 Functional
GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.GTPgammaS Binding Assay: Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Ga15-bla HEK293T cells were added to the compound plate (40 ul/well, final protein 3 ug/well) with multidrop. [35S]GTP (1250 Ci/mmol, Perkin Elmer) was diluted in assay buffer: 20 mM HEPES, pH7.5, 10 mM MgCl2, 150 mM NaCl, 1 mM EGTA, 1 mM DTT, 10 uM GDP, 0.1% fatty acid free BSA, and 10 ug/ml Saponin to 0.4 nM. 40 ul of the [35S] GTP solution was added to the compound plate with a final concentration of 0.2 nM. The reaction was kept at room temperature for 45 min. At the end of incubation, all the mixtures in the compound plate were transferred to Millipore 384-well FB filter plates via the Velocity11 Vprep liquid handler. The filter plate was washed with water 4 times by using the manifold Embla plate washer and dried at 60° C. for 45 min. MicroScint 20 scintillation fluid (30 u) was added to each well.
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
46238365 8813 0 None 8 2 Human 6.0 pEC50 = 6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 344 2 1 4 4.2 C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
CHEMBL1096787 8813 0 None 8 2 Human 6.0 pEC50 = 6 Functional
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells by GTPgammaS binding assay
ChEMBL 344 2 1 4 4.2 C/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1 10.1021/jm100181s
49873102 117962 0 None - 1 Human 11.0 pIC50 = 11 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3403631 117962 0 None - 1 Human 11.0 pIC50 = 11 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
53339543 129369 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 395 9 3 4 4.8 CC[C@@H](Nc1cc(CNCCC(=O)O)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671065 129369 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 395 9 3 4 4.8 CC[C@@H](Nc1cc(CNCCC(=O)O)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339761 129381 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 426 6 2 3 5.2 Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671077 129381 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 426 6 2 3 5.2 Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53339762 129382 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 430 6 2 3 5.0 Cc1cc([C@H](Nc2ccc(F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671078 129382 0 None - 1 Human 10.0 pIC50 = 10 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 430 6 2 3 5.0 Cc1cc([C@H](Nc2ccc(F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53340320 129322 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CCC(Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671019 129322 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CCC(Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339656 129376 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671072 129376 0 None - 1 Human 9.7 pIC50 = 9.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
49873102 117962 0 None - 1 Human 9.6 pIC50 = 9.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3403631 117962 0 None - 1 Human 9.6 pIC50 = 9.6 Functional
Agonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assayAgonist activity at human S1P1 receptor assessed as change in cAMP level by homogeneous time resolved fluorescence cyclase assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
53340433 129327 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CCC(Nc1cc(C)cc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671023 129327 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CCC(Nc1cc(C)cc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340799 129344 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671040 129344 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53339193 129355 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 428 8 3 3 5.5 Cc1cc([C@H](Nc2ccc(C)c(CNCCC(=O)O)c2C)C(F)(F)F)ccc1Cl nan
CHEMBL3671051 129355 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 428 8 3 3 5.5 Cc1cc([C@H](Nc2ccc(C)c(CNCCC(=O)O)c2C)C(F)(F)F)ccc1Cl nan
53339975 129395 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 461 6 2 4 5.3 Cc1cc([C@H](Nc2cc(CN3CC[C@@H](C(=O)O)C3)c(Cl)cn2)C(F)(F)F)ccc1Cl nan
CHEMBL3671090 129395 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 461 6 2 4 5.3 Cc1cc([C@H](Nc2cc(CN3CC[C@@H](C(=O)O)C3)c(Cl)cn2)C(F)(F)F)ccc1Cl nan
53340430 129324 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.3 CC[C@@H](Nc1cccc(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671020 129324 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.3 CC[C@@H](Nc1cccc(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339434 129367 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 421 7 2 4 5.2 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671063 129367 0 None - 1 Human 9.3 pIC50 = 9.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 421 7 2 4 5.2 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339072 129348 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.3 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
CHEMBL3671044 129348 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.3 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
53339867 129389 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 407 7 2 4 4.8 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671085 129389 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 407 7 2 4 4.8 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339542 129368 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671064 129368 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339659 129379 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 446 6 2 3 5.5 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671075 129379 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 446 6 2 3 5.5 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53340674 129337 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671033 129337 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340798 129343 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CC[C@@H](Nc1ccc(C)c(CN2CC(C)(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671039 129343 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CC[C@@H](Nc1ccc(C)c(CN2CC(C)(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339071 129347 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 7 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
CHEMBL3671043 129347 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 7 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
53339073 129349 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 7 2 3 5.8 CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC[C@@H](C(=O)O)C1 nan
CHEMBL3671045 129349 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 7 2 3 5.8 CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC[C@@H](C(=O)O)C1 nan
53339191 129353 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.8 CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671049 129353 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.8 CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339192 129354 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 426 6 2 3 5.2 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
CHEMBL3671050 129354 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 426 6 2 3 5.2 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
53339315 129358 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 6.1 CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671054 129358 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 6.1 CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53339658 129378 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 412 6 2 3 4.9 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671074 129378 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 412 6 2 3 4.9 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
76015394 129380 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 480 6 2 3 5.9 Cc1cc(C(Nc2ccc(C(F)(F)F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671076 129380 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 480 6 2 3 5.9 Cc1cc(C(Nc2ccc(C(F)(F)F)c(CN3CC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53339866 129388 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1ccnc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671084 129388 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1ccnc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340319 129321 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 372 7 2 3 4.7 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671018 129321 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 372 7 2 3 4.7 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340800 129345 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
CHEMBL3671041 129345 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
53339432 129365 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 8 3 3 5.6 Cc1cc([C@H](Nc2ccc(Cl)c(CNCCC(=O)O)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671061 129365 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 8 3 3 5.6 Cc1cc([C@H](Nc2ccc(Cl)c(CNCCC(=O)O)c2)C(F)(F)F)ccc1Cl nan
53339433 129366 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 391 7 2 4 4.3 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(F)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671062 129366 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 391 7 2 4 4.3 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(F)cn1)c1ccc(Cl)c(C)c1 nan
53339547 129373 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 406 7 2 3 5.4 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671069 129373 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 406 7 2 3 5.4 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53308749 129396 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 8 3 4 5.0 Cc1cc([C@H](Nc2cc(CNCCC(=O)O)c(Cl)cn2)C(F)(F)F)ccc1Cl nan
CHEMBL3671091 129396 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 8 3 4 5.0 Cc1cc([C@H](Nc2cc(CNCCC(=O)O)c(Cl)cn2)C(F)(F)F)ccc1Cl nan
53340673 129336 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 6 2 3 5.6 Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671032 129336 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 6 2 3 5.6 Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53340675 129338 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671034 129338 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339070 129346 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 6 2 3 5.5 Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
CHEMBL3671042 129346 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 6 2 3 5.5 Cc1cc([C@H](Nc2ccc(C)c(CN3CC(C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl nan
53339195 129357 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 7 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671053 129357 0 None - 1 Human 9.0 pIC50 = 9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 7 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53339654 129374 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.6 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl nan
CHEMBL3671070 129374 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.6 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl nan
53339763 129383 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CCC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671079 129383 0 None - 1 Human 9.0 pIC50 = 9.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 460 6 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CCC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
53340431 129325 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.3 CCC(Nc1cccc(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671021 129325 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.3 CCC(Nc1cccc(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339317 129360 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 388 9 3 3 5.4 CC[C@@H](Nc1ccc(C)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671056 129360 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 388 9 3 3 5.4 CC[C@@H](Nc1ccc(C)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
53339320 129363 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 9 3 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671059 129363 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 9 3 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
53339542 129368 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671064 129368 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339544 129370 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.5 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671066 129370 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.5 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(Cl)cn1)c1cc(C)c(Cl)c(C)c1 nan
53339657 129377 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 6.1 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C)(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671073 129377 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 6.1 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C)(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53339764 129384 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 8 3 3 5.5 Cc1cc([C@H](Nc2cccc([C@H](C)NCCC(=O)O)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671080 129384 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 8 3 3 5.5 Cc1cc([C@H](Nc2cccc([C@H](C)NCCC(=O)O)c2)C(F)(F)F)ccc1Cl nan
53339194 129356 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.3 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671052 129356 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.3 CC[C@@H](Nc1ccc(C)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53339318 129361 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 6 2 3 5.7 Cc1cc([C@@H](C)Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)cc(C)c1Cl nan
CHEMBL3671057 129361 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 6 2 3 5.7 Cc1cc([C@@H](C)Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)cc(C)c1Cl nan
53340432 129326 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.1 CC[C@@H](Nc1cccc(CN2CC(C)(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671022 129326 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.1 CC[C@@H](Nc1cccc(CN2CC(C)(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
67328597 129331 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CCC(Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
CHEMBL3671027 129331 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CCC(Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1 nan
53340434 129328 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.6 CCC(Nc1ccc(C)c(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671024 129328 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.6 CCC(Nc1ccc(C)c(C(C)N2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340554 129333 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 Cc1cc(C(Nc2cccc(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl nan
CHEMBL3671029 129333 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 Cc1cc(C(Nc2cccc(CN3CC(C(=O)O)C3)c2)C(C)C)ccc1Cl nan
53339319 129362 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 374 8 3 3 5.0 Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CNCCC(=O)O nan
CHEMBL3671058 129362 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 374 8 3 3 5.0 Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CNCCC(=O)O nan
53339546 129372 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671068 129372 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 420 7 2 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53339655 129375 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)cc(C)c1Cl nan
CHEMBL3671071 129375 0 None - 1 Human 8.8 pIC50 = 8.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 434 7 2 3 5.9 Cc1cc([C@H](Nc2ccc(Cl)c(CN3CC(C(=O)O)C3)c2)C(C)C)cc(C)c1Cl nan
53339074 129350 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 7 2 3 5.4 CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C(=O)O)C1 nan
CHEMBL3671046 129350 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 440 7 2 3 5.4 CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC(C(=O)O)C1 nan
53340555 129334 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671030 129334 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.0 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1 nan
53340676 129339 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 390 7 2 3 4.9 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1 nan
CHEMBL3671035 129339 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 390 7 2 3 4.9 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1 nan
53340797 129342 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 404 7 2 3 5.3 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1 nan
CHEMBL3671038 129342 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 404 7 2 3 5.3 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1 nan
145991829 166969 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 423 7 2 5 3.6 CCC/N=C1\S/C(=C\c2ccc(C(=O)NCCO)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
CHEMBL4287514 166969 0 None - 1 Human 7.0 pIC50 = 7 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 423 7 2 5 3.6 CCC/N=C1\S/C(=C\c2ccc(C(=O)NCCO)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
44437393 14704 0 None 29 4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206181 14704 0 None 29 4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL239659 14704 0 None 29 4 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
44437407 14825 0 None - 1 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 622 17 2 5 9.7 CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1207340 14825 0 None - 1 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 622 17 2 5 9.7 CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL396847 14825 0 None - 1 Human 6.0 pIC50 = 6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 622 17 2 5 9.7 CCCCCCCCCCC#CC(C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
1473969 35691 12 None -19 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 373 4 1 2 4.7 O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)[S+]([O-])c1ccccc1 nan
CHEMBL1440300 35691 12 None -19 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 373 4 1 2 4.7 O=C(Nc1ccccc1Cl)/C(Cl)=C(\Cl)[S+]([O-])c1ccccc1 nan
49830725 71889 0 None -269 2 Human 6.0 pIC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 365 6 1 3 3.8 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1971132 71889 0 None -269 2 Human 6.0 pIC50 = 6.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 365 6 1 3 3.8 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
1474465 24655 24 None -8 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1343392 24655 24 None -8 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
59451793 136760 0 None -109 2 Human 7.0 pIC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 399 6 1 3 4.5 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741092 136760 0 None -109 2 Human 7.0 pIC50 = 7.0 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 399 6 1 3 4.5 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1 10.1021/acs.jmedchem.5b00928
3143422 45601 6 None -6 2 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 355 5 2 6 3.6 Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1ccco1 nan
CHEMBL1529188 45601 6 None -6 2 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 355 5 2 6 3.6 Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1ccco1 nan
2320547 46288 1 None -8 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 391 3 0 6 3.0 CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21 nan
CHEMBL1535546 46288 1 None -8 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 391 3 0 6 3.0 CN1/C(=C/C(=O)c2nc(S(C)(=O)=O)ncc2Cl)C(C)(C)c2ccccc21 nan
2082098 40762 7 None -1 3 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 304 3 1 4 3.4 Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1 nan
CHEMBL1485168 40762 7 None -1 3 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 304 3 1 4 3.4 Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1 nan
3247230 50053 3 None -9 4 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 405 4 0 4 3.1 C=C1C(=O)C=C2CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]12 nan
CHEMBL1569585 50053 3 None -9 4 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 405 4 0 4 3.1 C=C1C(=O)C=C2CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]12 nan
71455442 82586 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 571 10 3 5 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178813 82586 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 571 10 3 5 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
11363176 3147 47 None 3 4 Human 7.9 pIC50 = 7.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
5446 3147 47 None 3 4 Human 7.9 pIC50 = 7.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
9320 3147 47 None 3 4 Human 7.9 pIC50 = 7.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
CHEMBL1096146 3147 47 None 3 4 Human 7.9 pIC50 = 7.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
DB12016 3147 47 None 3 4 Human 7.9 pIC50 = 7.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
2452801 24316 6 None -3 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 310 3 0 4 3.1 Cc1ccc(C)c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 nan
CHEMBL1340619 24316 6 None -3 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 310 3 0 4 3.1 Cc1ccc(C)c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 nan
145986468 167216 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 424 7 1 6 4.0 CCC/N=C1\S/C(=C\c2ccc(C(=O)OCCO)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
CHEMBL4292022 167216 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 424 7 1 6 4.0 CCC/N=C1\S/C(=C\c2ccc(C(=O)OCCO)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
701067 27800 11 None -26 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 331 2 0 5 4.2 O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21 nan
CHEMBL1370884 27800 11 None -26 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 331 2 0 5 4.2 O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc21 nan
2980954 29246 8 None -7 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 420 5 1 6 3.4 O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 nan
CHEMBL1382558 29246 8 None -7 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 420 5 1 6 3.4 O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 nan
56954024 73749 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 488 11 3 5 4.2 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 10.1021/jm201533b
CHEMBL2018467 73749 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 488 11 3 5 4.2 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 10.1021/jm201533b
46190696 73764 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018485 73764 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
44437423 14823 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 668 21 3 7 8.5 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1207336 14823 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 668 21 3 7 8.5 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL396365 14823 0 None - 1 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 668 21 3 7 8.5 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
44437368 14874 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1207683 14874 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL429810 14874 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
655335 32374 5 None -12 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 491 7 1 9 4.0 CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)s1 nan
CHEMBL1410897 32374 5 None -12 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 491 7 1 9 4.0 CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)s1 nan
1484340 46064 22 None -6 4 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 298 3 1 3 3.1 O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccccc1 nan
CHEMBL1533279 46064 22 None -6 4 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 298 3 1 3 3.1 O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccccc1 nan
4879810 40916 8 None -4 2 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 2 1 5 1.5 O=C1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2N1 nan
CHEMBL1486546 40916 8 None -4 2 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 2 1 5 1.5 O=C1CN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2N1 nan
1474489 40753 15 None -8 6 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 404 3 0 5 2.7 O=C(OCn1ncc(Br)c(Br)c1=O)c1ccc(F)cc1 nan
CHEMBL1485010 40753 15 None -8 6 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 404 3 0 5 2.7 O=C(OCn1ncc(Br)c(Br)c1=O)c1ccc(F)cc1 nan
2585250 28355 6 None -6 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 396 6 1 5 2.2 CCc1ccccc1NC(=O)CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O nan
CHEMBL1374788 28355 6 None -6 3 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 396 6 1 5 2.2 CCc1ccccc1NC(=O)CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O nan
5286934 49299 8 None -10 5 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
CHEMBL1563483 49299 8 None -10 5 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
45377019 73753 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 468 11 3 4 4.9 O=C(Cc1cnc[nH]1)N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018474 73753 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 468 11 3 4 4.9 O=C(Cc1cnc[nH]1)N[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
53339765 129385 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)n1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671081 129385 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)n1)c1ccc(Cl)c(C)c1 nan
53340317 129319 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 358 6 2 3 4.3 Cc1cc(C(C)Nc2cccc(CN3CC(C(=O)O)C3)c2)ccc1Cl nan
CHEMBL3671016 129319 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 358 6 2 3 4.3 Cc1cc(C(C)Nc2cccc(CN3CC(C(=O)O)C3)c2)ccc1Cl nan
82533 41042 70 None -2 5 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 298 3 1 3 3.3 Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 nan
CHEMBL1487635 41042 70 None -2 5 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 298 3 1 3 3.3 Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 nan
900031 42560 11 None -11 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 340 3 0 3 4.5 CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21 nan
CHEMBL1500227 42560 11 None -11 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 340 3 0 3 4.5 CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21 nan
5759185 38675 5 None -19 5 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
CHEMBL1465592 38675 5 None -19 5 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
100520 32723 6 None -12 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 240 3 0 7 2.0 O=[N+]([O-])c1cnc(Sc2ccncn2)s1 nan
CHEMBL1413680 32723 6 None -12 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 240 3 0 7 2.0 O=[N+]([O-])c1cnc(Sc2ccncn2)s1 nan
1916369 42108 8 None -9 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 5 1 6 2.4 COC(CNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)OC nan
CHEMBL1496231 42108 8 None -9 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 5 1 6 2.4 COC(CNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)OC nan
56954025 73751 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 12 3 5 3.9 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018469 73751 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 12 3 5 3.9 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 10.1021/jm201533b
1474487 20064 16 None -8 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 420 3 0 5 3.2 O=C(OCn1ncc(Br)c(Br)c1=O)c1ccccc1Cl nan
CHEMBL1303810 20064 16 None -8 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 420 3 0 5 3.2 O=C(OCn1ncc(Br)c(Br)c1=O)c1ccccc1Cl nan
2219262 34644 11 None -8 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 388 6 0 6 2.9 CCOC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
CHEMBL1429929 34644 11 None -8 3 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 388 6 0 6 2.9 CCOC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
56954243 73761 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 7 2 4 4.9 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
CHEMBL2018482 73761 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 7 2 4 4.9 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
883460 54324 5 None -13 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 254 4 0 3 3.7 CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1 nan
CHEMBL1608392 54324 5 None -13 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 254 4 0 3 3.7 CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1 nan
46872619 72500 0 None -165 2 Human 6.8 pIC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 379 6 1 3 4.4 Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1990223 72500 0 None -165 2 Human 6.8 pIC50 = 6.8 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 379 6 1 3 4.4 Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
1479791 35501 24 None -3 2 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 308 2 0 4 1.4 CC(=O)Cn1ncc(Br)c(Br)c1=O nan
CHEMBL1438636 35501 24 None -3 2 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 308 2 0 4 1.4 CC(=O)Cn1ncc(Br)c(Br)c1=O nan
3236803 41741 11 None -15 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 302 2 0 4 2.6 CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
CHEMBL1492648 41741 11 None -15 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 302 2 0 4 2.6 CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
375895 20863 8 None -8 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 286 2 0 4 2.8 COc1ccc(OC)c2c1C(=O)C(Cl)=C(Cl)C2=O nan
CHEMBL131037 20863 8 None -8 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 286 2 0 4 2.8 COc1ccc(OC)c2c1C(=O)C(Cl)=C(Cl)C2=O nan
3651285 14712 8 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 614 22 1 6 9.5 CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)C(=O)C1 10.1016/j.bmc.2007.02.048
CHEMBL1206198 14712 8 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 614 22 1 6 9.5 CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)C(=O)C1 10.1016/j.bmc.2007.02.048
CHEMBL241147 14712 8 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 614 22 1 6 9.5 CCCCCCCCCCCCCCCCCC1=NN(c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)C(=O)C1 10.1016/j.bmc.2007.02.048
4576185 41831 13 None -16 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 413 7 1 9 3.3 COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 nan
CHEMBL1493442 41831 13 None -16 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 413 7 1 9 3.3 COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 nan
14286542 72218 3 None -27 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 401 2 3 4 2.9 CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)C23C(=O)NC(CC(C)C)C3C1C nan
CHEMBL1981103 72218 3 None -27 4 Human 4.8 pIC50 = 4.8 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 401 2 3 4 2.9 CC1=CC2/C=C(\C)CCC(O)C(O)/C=C/C(=O)C23C(=O)NC(CC(C)C)C3C1C nan
2743870 33895 5 None -6 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 285 5 1 9 1.7 C=CCn1c(O)nnc1Sc1ncc([N+](=O)[O-])s1 nan
CHEMBL1423626 33895 5 None -6 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 285 5 1 9 1.7 C=CCn1c(O)nnc1Sc1ncc([N+](=O)[O-])s1 nan
56954147 73756 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 5 4.4 CN(C(=O)Cc1cnc[nH]1)[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018477 73756 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 5 4.4 CN(C(=O)Cc1cnc[nH]1)[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
998879 34156 10 None -18 2 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 371 4 1 7 3.6 Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C nan
CHEMBL1425921 34156 10 None -18 2 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 371 4 1 7 3.6 Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1C nan
2295300 36416 10 None -14 5 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 356 8 1 5 3.7 CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C nan
CHEMBL1446971 36416 10 None -14 5 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 356 8 1 5 3.7 CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C nan
44437393 14704 0 None 29 4 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206181 14704 0 None 29 4 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL239659 14704 0 None 29 4 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 608 17 2 5 9.5 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
44437385 14711 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 594 16 2 5 9.1 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206197 14711 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 594 16 2 5 9.1 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL241104 14711 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 594 16 2 5 9.1 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
3006170 59546 7 None -4 3 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 325 3 5 9 -1.7 NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 nan
CHEMBL171699 59546 7 None -4 3 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 325 3 5 9 -1.7 NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 nan
59393720 2817 29 None 109 2 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
ChEMBL 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 10.1016/j.bmcl.2013.09.058
6997 2817 29 None 109 2 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
ChEMBL 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 10.1016/j.bmcl.2013.09.058
CHEMBL3086703 2817 29 None 109 2 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in CHO cells after 120 mins by [35S]GTPgammaS binding assay
ChEMBL 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 10.1016/j.bmcl.2013.09.058
53340672 129335 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 7 2 3 5.6 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc2c(Cl)cccc2c1 nan
CHEMBL3671031 129335 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 7 2 3 5.6 CC[C@@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc2c(Cl)cccc2c1 nan
11452022 3594 39 None -1 6 Human 8.7 pIC50 = 8.7 Functional
Agonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
6996 3594 39 None -1 6 Human 8.7 pIC50 = 8.7 Functional
Agonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
CHEMBL366208 3594 39 None -1 6 Human 8.7 pIC50 = 8.7 Functional
Agonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P1 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
71450072 82585 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 543 9 4 5 4.6 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CCN)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178812 82585 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 543 9 4 5 4.6 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](CCN)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
53340796 129341 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 390 7 2 3 4.9 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1 nan
CHEMBL3671037 129341 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 390 7 2 3 4.9 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1 nan
53339545 129371 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 401 7 2 4 4.8 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(C)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671067 129371 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 401 7 2 4 4.8 CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)c(C)cn1)c1ccc(Cl)c(C)c1 nan
67328730 129332 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CCC(Nc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671028 129332 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 7 2 3 5.4 CCC(Nc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339320 129363 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 9 3 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671059 129363 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 408 9 3 3 5.7 CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
53339321 129364 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 3 3 5.6 CC[C@@H](Nc1ccc(C)c(CNC[C@@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671060 129364 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 3 3 5.6 CC[C@@H](Nc1ccc(C)c(CNC[C@@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
53339542 129368 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671064 129368 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 435 7 2 4 5.6 CC[C@@H](Nc1cc(CN2CCC(C)(C(=O)O)C2)c(Cl)cn1)c1ccc(Cl)c(C)c1 nan
53339190 129352 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 8 2 3 5.3 CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC(C(=O)O)C1 nan
CHEMBL3671048 129352 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 8 2 3 5.3 CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC(C(=O)O)C1 nan
145979230 166615 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 428 5 0 5 5.3 CCC/N=C1\S/C(=C\c2ccc(C(=O)OC)c(Cl)c2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
CHEMBL4280697 166615 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 428 5 0 5 5.3 CCC/N=C1\S/C(=C\c2ccc(C(=O)OC)c(Cl)c2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
59174265 82582 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 514 7 3 4 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1016/j.bmcl.2013.09.058
CHEMBL2178809 82582 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 514 7 3 4 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1016/j.bmcl.2013.09.058
59174265 82582 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 514 7 3 4 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178809 82582 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 514 7 3 4 5.2 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
53339863 129386 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)ccn1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671082 129386 0 None - 1 Human 8.6 pIC50 = 8.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 373 7 2 4 4.1 CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)ccn1)c1ccc(Cl)c(C)c1 nan
53339974 129393 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 6 2 3 6.0 Cc1cc([C@H](Nc2ccc(C)c(CN3CCC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
CHEMBL3671089 129393 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 454 6 2 3 6.0 Cc1cc([C@H](Nc2ccc(C)c(CN3CCC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl nan
71460883 82588 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178815 82588 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
2215161 40956 5 None -9 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 282 5 0 7 0.9 CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1 nan
CHEMBL1486934 40956 5 None -9 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 282 5 0 7 0.9 CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1 nan
977927 47337 8 None -14 4 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 283 3 1 3 3.5 CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 nan
CHEMBL1544423 47337 8 None -14 4 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 283 3 1 3 3.5 CCc1ccc2c(c1)/C(=C/C(=O)c1cccs1)C(=O)N2 nan
998685 34022 14 None -19 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 357 4 1 7 3.3 Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1 nan
CHEMBL1424697 34022 14 None -19 3 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 357 4 1 7 3.3 Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1 nan
45377016 73817 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1nccn1 10.1021/jm201533b
CHEMBL2018573 73817 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1nccn1 10.1021/jm201533b
56953918 73747 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 10.1021/jm201533b
CHEMBL2018464 73747 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1 10.1021/jm201533b
2769258 43390 22 None -10 2 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 270 2 0 4 2.5 COc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1507537 43390 22 None -10 2 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 270 2 0 4 2.5 COc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 nan
46872620 136658 0 None -43 2 Human 6.7 pIC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 4.2 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(F)c2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3740093 136658 0 None -43 2 Human 6.7 pIC50 = 6.7 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 4.2 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(F)c2)C1 10.1021/acs.jmedchem.5b00928
67009121 73748 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
CHEMBL2018465 73748 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
67010094 73745 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 6 4.1 Cn1cnc(CC(=O)N[C@@H](COCc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 10.1021/jm201533b
CHEMBL2018461 73745 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 6 4.1 Cn1cnc(CC(=O)N[C@@H](COCc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 10.1021/jm201533b
1218173 52802 8 None -3 4 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 319 2 0 5 2.9 O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccn1 nan
CHEMBL1595015 52802 8 None -3 4 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 319 2 0 5 2.9 O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccn1 nan
3245258 34776 1 None -22 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 308 2 0 5 2.6 CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 nan
CHEMBL1430895 34776 1 None -22 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 308 2 0 5 2.6 CS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1 nan
2767048 23472 12 None -6 2 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 379 4 1 6 3.3 O=C(Nc1ccccc1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 nan
CHEMBL1333510 23472 12 None -6 2 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 379 4 1 6 3.3 O=C(Nc1ccccc1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 nan
460749 23547 8 None -5 6 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
CHEMBL1334062 23547 8 None -5 6 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
2221997 27303 14 None -18 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 254 3 0 7 0.1 COc1cccc(-n2nnnc2S(C)(=O)=O)c1 nan
CHEMBL1367316 27303 14 None -18 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 254 3 0 7 0.1 COc1cccc(-n2nnnc2S(C)(=O)=O)c1 nan
56954240 73758 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 485 10 3 5 4.8 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)c1nc2cc(Oc3ccc(F)cc3)ccc2[nH]1 10.1021/jm201533b
CHEMBL2018479 73758 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 485 10 3 5 4.8 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)c1nc2cc(Oc3ccc(F)cc3)ccc2[nH]1 10.1021/jm201533b
53339868 129390 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 416 9 3 3 6.0 CC[C@@H](Nc1ccc(C)c(CNCC(C)(C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671086 129390 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 416 9 3 3 6.0 CC[C@@H](Nc1ccc(C)c(CNCC(C)(C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
49830724 72383 0 None -128 2 Human 6.6 pIC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 399 6 1 3 4.5 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1986265 72383 0 None -128 2 Human 6.6 pIC50 = 6.6 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 399 6 1 3 4.5 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1 10.1021/acs.jmedchem.5b00928
5290861 54605 15 None -13 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 320 5 1 2 4.1 O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)F nan
CHEMBL1610831 54605 15 None -13 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 320 5 1 2 4.1 O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)F nan
45377018 73816 3 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1ccnn1 10.1021/jm201533b
CHEMBL2018571 73816 3 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1ccnn1 10.1021/jm201533b
45377161 73740 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 537 12 2 5 4.9 CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
CHEMBL2018454 73740 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 537 12 2 5 4.9 CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
56954024 73749 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 488 11 3 5 4.2 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 10.1021/jm201533b
CHEMBL2018467 73749 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 488 11 3 5 4.2 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1 10.1021/jm201533b
2035866 27770 10 None -13 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 374 5 0 6 2.5 COC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
CHEMBL1370681 27770 10 None -13 3 Human 4.6 pIC50 = 4.6 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 374 5 0 6 2.5 COC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 nan
70689653 73742 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 528 15 2 6 6.7 O=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1 10.1021/jm201533b
CHEMBL2018457 73742 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 528 15 2 6 6.7 O=C(CCCC(=O)c1cccs1)NC(CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1 10.1021/jm201533b
67009931 73743 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 430 10 2 4 4.5 O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 10.1021/jm201533b
CHEMBL2018458 73743 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 430 10 2 4 4.5 O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC1 10.1021/jm201533b
53339973 129392 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN(C)CCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671088 129392 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 2 3 5.7 CC[C@@H](Nc1ccc(C)c(CN(C)CCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
53340795 129340 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 404 7 2 3 5.3 CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1 nan
CHEMBL3671036 129340 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 404 7 2 3 5.3 CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1 nan
71450073 82587 0 None 234 4 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178814 82587 0 None 234 4 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
53340318 129320 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 372 7 2 3 4.7 CCC(Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671017 129320 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 372 7 2 3 4.7 CCC(Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53339075 129351 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 8 2 3 5.7 CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 nan
CHEMBL3671047 129351 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 414 8 2 3 5.7 CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 nan
53339869 129391 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 3 3 5.6 CC[C@@H](Nc1ccc(C)c(CNC[C@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
CHEMBL3671087 129391 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 402 9 3 3 5.6 CC[C@@H](Nc1ccc(C)c(CNC[C@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1 nan
5290862 47717 10 None -18 3 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 7 1 2 4.4 O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F nan
CHEMBL1547643 47717 10 None -18 3 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 352 7 1 2 4.4 O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F nan
44437418 14827 0 None 39 4 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1207343 14827 0 None 39 4 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL397081 14827 0 None 39 4 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
145990307 167026 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 394 5 0 5 4.7 CCC/N=C1\S/C(=C\c2ccc(C(=O)OC)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
CHEMBL4288608 167026 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Inhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assayInhibition of S1PR1 (unknown origin) expressed in CHOK1 cells after 90 mins by beta-arresting recuitment assay
ChEMBL 394 5 0 5 4.7 CCC/N=C1\S/C(=C\c2ccc(C(=O)OC)cc2)C(=O)N1c1ccccc1C 10.1016/j.bmcl.2018.07.044
67009121 73748 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
CHEMBL2018465 73748 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
45376239 73755 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 474 9 3 4 4.8 O=C(Cc1cnc[nH]1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
CHEMBL2018476 73755 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 474 9 3 4 4.8 O=C(Cc1cnc[nH]1)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
78545 27033 24 None -15 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 204 1 0 3 1.7 Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-] nan
CHEMBL1364999 27033 24 None -15 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 204 1 0 3 1.7 Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-] nan
56953917 73744 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 470 11 3 5 4.1 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018460 73744 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 470 11 3 5 4.1 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
49830722 71752 0 None -331 2 Human 6.5 pIC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 379 6 1 3 4.1 Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1966501 71752 0 None -331 2 Human 6.5 pIC50 = 6.5 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 379 6 1 3 4.1 Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
44437416 14826 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 584 15 3 7 6.1 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1207342 14826 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 584 15 3 7 6.1 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL397080 14826 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 584 15 3 7 6.1 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
5286552 26666 8 None -3 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 251 6 0 5 1.9 CCOC(=O)COc1ccccc1/C=C\[N+](=O)[O-] nan
CHEMBL1361821 26666 8 None -3 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 251 6 0 5 1.9 CCOC(=O)COc1ccccc1/C=C\[N+](=O)[O-] nan
704848 33439 14 None -2 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 333 2 0 5 3.3 Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 nan
CHEMBL1419909 33439 14 None -2 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 333 2 0 5 3.3 Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 nan
1336753 30162 14 None -34 4 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 403 4 1 6 3.9 O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 nan
CHEMBL1390139 30162 14 None -34 4 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 403 4 1 6 3.9 O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 nan
2812682 107487 5 None -7 3 Human 4.5 pIC50 = 4.5 Functional
PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 415 6 2 5 4.9 CN(C)c1cccc2c1c(NC(=O)Nc1ccc(OCc3ccccc3)cc1)nn2C nan
CHEMBL3185265 107487 5 None -7 3 Human 4.5 pIC50 = 4.5 Functional
PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 415 6 2 5 4.9 CN(C)c1cccc2c1c(NC(=O)Nc1ccc(OCc3ccccc3)cc1)nn2C nan
6217704 32581 3 None -43 6 Human 6.5 pIC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 490 7 0 8 5.2 CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 nan
CHEMBL1412583 32581 3 None -43 6 Human 6.5 pIC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 490 7 0 8 5.2 CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 nan
46872626 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
9496 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
CHEMBL3741589 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
2142309 198657 14 None -6 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 346 3 1 5 2.7 Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O nan
CHEMBL579318 198657 14 None -6 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 346 3 1 5 2.7 Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O nan
44437401 14706 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 607 17 2 5 9.5 CCCCCCCCCCC#CC(N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206185 14706 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 607 17 2 5 9.5 CCCCCCCCCCC#CC(N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL239874 14706 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 607 17 2 5 9.5 CCCCCCCCCCC#CC(N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
305322 23391 13 None -2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 326 3 0 5 2.5 O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1 nan
CHEMBL1332881 23391 13 None -2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 326 3 0 5 2.5 O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1 nan
11957208 56198 3 None -5 4 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C nan
CHEMBL1340713 56198 3 None -5 4 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C nan
CHEMBL1626334 56198 3 None -5 4 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccc(O)cc1)=[N+]2C nan
57699087 103595 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 362 6 1 6 2.1 CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 10.1016/j.bmcl.2013.09.058
CHEMBL3086532 103595 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 362 6 1 6 2.1 CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 10.1016/j.bmcl.2013.09.058
663900 24473 8 None -20 3 Human 4.4 pIC50 = 4.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 423 7 1 7 4.0 Cc1ccccc1CS(=O)(=O)c1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 nan
CHEMBL1341981 24473 8 None -20 3 Human 4.4 pIC50 = 4.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 423 7 1 7 4.0 Cc1ccccc1CS(=O)(=O)c1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 nan
53340435 129329 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.1 CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
CHEMBL3671025 129329 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 386 7 2 3 5.1 CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 nan
53340550 129330 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 8 2 3 5.7 CCC(c1cccc(N[C@H](CC)c2ccc(Cl)c(C)c2)c1)N1CC(C(=O)O)C1 nan
CHEMBL3671026 129330 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 8 2 3 5.7 CCC(c1cccc(N[C@H](CC)c2ccc(Cl)c(C)c2)c1)N1CC(C(=O)O)C1 nan
45377016 73817 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1nccn1 10.1021/jm201533b
CHEMBL2018573 73817 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1nccn1 10.1021/jm201533b
44437383 14703 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 580 15 2 5 8.7 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206180 14703 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 580 15 2 5 8.7 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL239653 14703 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 580 15 2 5 8.7 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
44437374 14705 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206182 14705 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL239867 14705 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
2824465 30928 8 None 1 2 Human 4.4 pIC50 = 4.4 Functional
PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 306 3 2 3 3.9 CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1 nan
CHEMBL139814 30928 8 None 1 2 Human 4.4 pIC50 = 4.4 Functional
PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) PubChem BioAssay. Late-stage counterscreen for antagonists of kappa opioid receptor 1 (OPRK1): fluorescence-based cell-based dose response assay to identify antagonists of Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 306 3 2 3 3.9 CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1 nan
59451819 136814 0 None -199 2 Human 6.4 pIC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 3.9 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(F)c2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741572 136814 0 None -199 2 Human 6.4 pIC50 = 6.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 3.9 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(F)c2)C1 10.1021/acs.jmedchem.5b00928
59451750 136862 0 None -524 2 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 311 6 1 3 3.1 Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3742033 136862 0 None -524 2 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 311 6 1 3 3.1 Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
5680788 72791 2 None -2 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 410 4 2 6 3.8 O=C1C(Nc2ccc(O)cc2)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 nan
CHEMBL2000517 72791 2 None -2 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 410 4 2 6 3.8 O=C1C(Nc2ccc(O)cc2)=C/C(=N/S(=O)(=O)c2cccs2)c2ccccc21 nan
16105541 83190 0 None -1 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 694 24 3 7 8.7 CCCCCCCCCCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC 10.1021/jm060834d
CHEMBL218446 83190 0 None -1 2 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 694 24 3 7 8.7 CCCCCCCCCCCCCCCCOc1ccc(/C(=N\NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC 10.1021/jm060834d
3838273 47187 15 None -1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 370 3 0 5 4.3 O=S(=O)(c1ccc(Cl)c(Cl)c1)c1snnc1-c1ccccc1 nan
CHEMBL1543295 47187 15 None -1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 370 3 0 5 4.3 O=S(=O)(c1ccc(Cl)c(Cl)c1)c1snnc1-c1ccccc1 nan
1472225 24742 11 None -11 7 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL1344225 24742 11 None -11 7 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
4252324 54907 9 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 320 7 3 6 1.2 O=C(CCl)Nc1cc(SCC(O)CO)cc([N+](=O)[O-])c1 nan
CHEMBL1613578 54907 9 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 320 7 3 6 1.2 O=C(CCl)Nc1cc(SCC(O)CO)cc([N+](=O)[O-])c1 nan
45378010 73763 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 499 8 1 6 4.3 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018484 73763 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assayAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced tango beta-arrestin recruitment preincubated for 30 mins prior S1P addition measured after 16 to 18 hrs by luciferase reporter gene assay
ChEMBL 499 8 1 6 4.3 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
44437370 14702 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1cccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206179 14702 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1cccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)c1 10.1016/j.bmc.2007.02.048
CHEMBL239650 14702 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1cccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)c1 10.1016/j.bmc.2007.02.048
59451849 136783 1 None -93 2 Human 6.3 pIC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 4.2 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741298 136783 1 None -93 2 Human 6.3 pIC50 = 6.3 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 4.2 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1 10.1021/acs.jmedchem.5b00928
2801235 35581 37 None -7 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 328 4 0 6 2.5 COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)n1 nan
CHEMBL1439384 35581 37 None -7 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 328 4 0 6 2.5 COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccc(Cl)cc2)n1 nan
11957215 55755 3 None -6 4 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C nan
CHEMBL1503962 55755 3 None -6 4 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C nan
CHEMBL1622468 55755 3 None -6 4 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 336 3 1 3 3.9 COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/c1ccccc1O)=[N+]2C nan
45377580 73765 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018486 73765 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
56954244 73762 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 485 7 1 6 4.2 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018483 73762 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 485 7 1 6 4.2 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
37839 190747 25 None -19 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 232 2 0 2 2.8 CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3(C=O)C[C@]23C)C1 nan
CHEMBL518292 190747 25 None -19 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 232 2 0 2 2.8 CC1(C)C[C@H]2[C@H](C=C(C=O)[C@]3(C=O)C[C@]23C)C1 nan
53339864 129387 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 398 7 2 3 5.1 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C2CCC2)ccc1Cl nan
CHEMBL3671083 129387 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 398 7 2 3 5.1 Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C2CCC2)ccc1Cl nan
46190696 73764 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018485 73764 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
45377018 73816 3 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1ccnn1 10.1021/jm201533b
CHEMBL2018571 73816 3 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 517 8 1 6 4.4 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccc(F)cc2)CN1C(=O)Cn1ccnn1 10.1021/jm201533b
45376237 73746 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 498 11 2 4 5.5 O=C(Cc1ccccc1F)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018463 73746 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 498 11 2 4 5.5 O=C(Cc1ccccc1F)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
44437418 14827 0 None 39 4 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1207343 14827 0 None 39 4 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL397081 14827 0 None 39 4 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by FLIPR assay
ChEMBL 612 17 3 7 6.9 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
6763 191445 104 None -2 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 208 0 0 2 2.7 O=C1C(=O)c2ccccc2-c2ccccc21 nan
CHEMBL51931 191445 104 None -2 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 208 0 0 2 2.7 O=C1C(=O)c2ccccc2-c2ccccc21 nan
44437396 14762 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 636 19 2 5 10.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206467 14762 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 636 19 2 5 10.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL277377 14762 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 636 19 2 5 10.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCCCC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
6552076 19728 1 None -15 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 487 4 0 7 4.5 COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL1301125 19728 1 None -15 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 487 4 0 7 4.5 COC(=O)C[C@]1(C(=O)OC)CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
67009400 73741 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 537 12 2 5 4.9 CN(CC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
CHEMBL2018456 73741 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 537 12 2 5 4.9 CN(CC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
44437364 14708 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1ccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)s1 10.1016/j.bmc.2007.02.048
CHEMBL1206189 14708 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1ccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)s1 10.1016/j.bmc.2007.02.048
CHEMBL240078 14708 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 570 15 2 6 8.4 CCCCCCCCCCC#CC(O)c1ccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)s1 10.1016/j.bmc.2007.02.048
2430298 23934 7 None -3 4 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 323 2 0 4 2.1 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCc2ccccc21 nan
CHEMBL1337227 23934 7 None -3 4 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 323 2 0 4 2.1 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCc2ccccc21 nan
3609942 46880 1 None -18 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL1540682 46880 1 None -18 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
5187118 51860 6 None -2 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 338 3 1 3 4.8 Oc1c(C(c2ccccc2Cl)N2CCCC2)ccc2cccnc12 nan
CHEMBL1585527 51860 6 None -2 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 338 3 1 3 4.8 Oc1c(C(c2ccccc2Cl)N2CCCC2)ccc2cccnc12 nan
59174152 82583 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 528 7 2 4 5.6 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178810 82583 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 528 7 2 4 5.6 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
53339316 129359 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 6 2 3 5.3 Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 nan
CHEMBL3671055 129359 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).Receptor Calcium FLIPR Antagonist Assay: The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5-ylmethyl]-amino}-propionic acid (GNF-AC-1) in the HeLa-S1P1/Galpha16 cell clone 1: HeLa (human cervix carcinoma, ATCC CCL2) cells stably expressing N-terminally myc-tagged human S1P1 receptors (GenBank accession No. NM001400; UNIPROT P21453) and promiscuous Galpha16 protein (GenBank accession number M63904, Swissprot P30679) are cultured at 37 C., 5% CO2, and 95% relative humidity. The cells are plated in 384 well black plates (10'000 cells per well). After 24 hours the cells are loaded with Fluo-4-AM (1.6 uM in HBSS and 2.5 mM probenicid) for 1 hour at 37 C. After washing, the cells are transferred to the FLIPR. The test compounds are added at different concentrations (<=100 uM) in HBSS in the presence of 0.1% BSA and changes in fluorescence are recorded (indication of agonism).
ChEMBL 400 6 2 3 5.3 Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1 nan
45378010 73763 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 499 8 1 6 4.3 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
CHEMBL2018484 73763 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 499 8 1 6 4.3 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cn1cncn1 10.1021/jm201533b
6217704 32581 3 None -43 6 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 490 7 0 8 5.2 CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 nan
CHEMBL1412583 32581 3 None -43 6 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 490 7 0 8 5.2 CCOC(=O)/C(=C\c1ccc(OC(F)F)cc1)C1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 nan
6056442 79104 5 None -1 2 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 701 23 3 7 8.1 CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)N2CCCCC2)cc1OC 10.1021/jm060834d
CHEMBL2113260 79104 5 None -1 2 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 701 23 3 7 8.1 CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)N2CCCCC2)cc1OC 10.1021/jm060834d
1475343 34919 14 None -7 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
CHEMBL1432251 34919 14 None -7 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
5311103 46491 14 None -3 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 466 2 2 6 4.4 CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 nan
CHEMBL1537489 46491 14 None -3 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 466 2 2 6 4.4 CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 nan
16105530 83189 0 None -2 2 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 694 24 3 7 8.7 CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC 10.1021/jm060834d
CHEMBL218445 83189 0 None -2 2 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cellsAntagonist activity against human S1P1 receptor assessed as inhibition of S1P-induced intracellular calcium mobilization in CHO-K1 cells
ChEMBL 694 24 3 7 8.7 CCCCCCCCCCCCCCCCOc1ccc(/C(=N/NS(=O)(=O)c2cc(C(=O)O)cc(C(=O)O)c2)c2ccccc2)cc1OC 10.1021/jm060834d
6526694 27603 3 None -12 5 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 364 4 1 3 5.7 O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 nan
CHEMBL1369594 27603 3 None -12 5 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 364 4 1 3 5.7 O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1 nan
9631442 72169 6 None -3 3 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 303 3 2 4 3.8 Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1C nan
CHEMBL1979747 72169 6 None -3 3 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 303 3 2 4 3.8 Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1C nan
49830723 72730 1 None -338 2 Human 6.2 pIC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 3.9 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1998478 72730 1 None -338 2 Human 6.2 pIC50 = 6.2 Functional
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB methodAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 30 mins by GTPgammaS binding based MFB method
ChEMBL 383 6 1 3 3.9 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)C1 10.1021/acs.jmedchem.5b00928
6258408 36453 11 None -3 3 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 328 3 1 4 3.4 CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 nan
CHEMBL1447306 36453 11 None -3 3 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 328 3 1 4 3.4 CC1=NNC(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1 nan
2330223 45591 6 None -35 4 Human 4.2 pIC50 = 4.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 391 3 1 5 2.1 Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 nan
CHEMBL1529115 45591 6 None -35 4 Human 4.2 pIC50 = 4.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 391 3 1 5 2.1 Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 nan
44437380 14709 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 566 14 2 5 8.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1206190 14709 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 566 14 2 5 8.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL240079 14709 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 566 14 2 5 8.3 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
45376240 73750 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 476 11 3 5 4.0 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(OC2CCCCC2)cc1 10.1021/jm201533b
CHEMBL2018468 73750 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 476 11 3 5 4.0 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(OC2CCCCC2)cc1 10.1021/jm201533b
1475337 20729 12 None -4 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 20729 12 None -4 4 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
45377161 73740 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 537 12 2 5 4.9 CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
CHEMBL2018454 73740 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 537 12 2 5 4.9 CN(CC(=O)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)c1ccccc1 10.1021/jm201533b
2801236 80186 7 None -7 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 294 4 0 6 1.8 COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)n1 nan
CHEMBL213580 80186 7 None -7 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 294 4 0 6 1.8 COc1ccc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)n1 nan
900971 39073 31 None -3 2 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 316 3 0 4 3.1 O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 nan
CHEMBL1468847 39073 31 None -3 2 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 316 3 0 4 3.1 O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)cc1 nan
2017227 29608 8 None -10 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 360 3 0 3 4.9 CC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc21 nan
CHEMBL1385784 29608 8 None -10 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 360 3 0 3 4.9 CC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc21 nan
56954027 73752 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 469 11 4 5 4.0 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018472 73752 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 469 11 4 5 4.0 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 10.1021/jm201533b
9660957 72754 12 None -5 5 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 330 4 0 5 2.3 CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 nan
CHEMBL1999049 72754 12 None -5 5 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 330 4 0 5 2.3 CCn1c(Cl)c(C=O)s/c1=N\S(=O)(=O)c1ccccc1 nan
56954146 73754 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 398 7 3 4 3.5 C[C@H](NC(=O)Cc1cnc[nH]1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
CHEMBL2018475 73754 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 398 7 3 4 3.5 C[C@H](NC(=O)Cc1cnc[nH]1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 10.1021/jm201533b
12005127 44804 4 None -10 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 333 6 0 4 4.6 COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl nan
CHEMBL1521989 44804 4 None -10 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 333 6 0 4 4.6 COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl nan
135415440 199048 11 None -4 5 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 295 3 2 6 3.0 Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(O)n2)cc1 nan
CHEMBL586135 199048 11 None -4 5 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 295 3 2 6 3.0 Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(O)n2)cc1 nan
1474490 23659 16 None -3 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 422 3 0 5 2.9 O=C(OCn1ncc(Br)c(Br)c1=O)c1c(F)cccc1F nan
CHEMBL1334984 23659 16 None -3 3 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 422 3 0 5 2.9 O=C(OCn1ncc(Br)c(Br)c1=O)c1c(F)cccc1F nan
71457219 82584 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 571 9 2 5 5.1 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178811 82584 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assayAntagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay
ChEMBL 571 9 2 5 5.1 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
44437410 10320 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 624 18 3 6 8.5 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1162057 10320 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 624 18 3 6 8.5 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
1472218 27611 13 None -4 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL1369655 27611 13 None -4 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
56954148 73757 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 5 4.1 CN(C(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
CHEMBL2018478 73757 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 484 11 2 5 4.1 CN(C(=O)[C@H](COCc1ccccc1)NC(=O)Cc1cnc[nH]1)c1ccc(Oc2ccccc2)cc1 10.1021/jm201533b
56954241 73759 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 513 8 2 5 4.2 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
CHEMBL2018480 73759 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 513 8 2 5 4.2 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
56954242 73760 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 498 8 2 4 5.0 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
CHEMBL2018481 73760 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 498 8 2 4 5.0 O=C(Nc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)Cc1cnc[nH]1 10.1021/jm201533b
2585042 46843 6 None -5 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 480 4 0 6 2.2 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 nan
CHEMBL1540377 46843 6 None -5 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 480 4 0 6 2.2 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 nan
72813 202288 97 None -4 2 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 240 1 0 3 2.5 O=c1c(Cl)c(Cl)cnn1-c1ccccc1 nan
CHEMBL610198 202288 97 None -4 2 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 240 1 0 3 2.5 O=c1c(Cl)c(Cl)cnn1-c1ccccc1 nan
5516000 36968 8 None -9 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 512 7 1 5 5.8 O=C(NCc1cccnc1)/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccccc1 nan
CHEMBL1451470 36968 8 None -9 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 512 7 1 5 5.8 O=C(NCc1cccnc1)/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccccc1 nan
44437378 14828 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL1207362 14828 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
CHEMBL399392 14828 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 564 15 2 5 8.4 CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(S(=O)(=O)O)c1 10.1016/j.bmc.2007.02.048
2766929 50308 26 None -4 4 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 287 1 0 4 3.1 CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1 nan
CHEMBL1572001 50308 26 None -4 4 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 287 1 0 4 3.1 CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1 nan
44607575 52545 0 None -57 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 375 4 1 3 5.8 COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1592119 52545 0 None -57 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 375 4 1 3 5.8 COc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
5761997 34275 5 None -4 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 369 5 0 6 4.2 COc1ccc(C(=O)/C(=C\c2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1 nan
CHEMBL1426792 34275 5 None -4 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 369 5 0 6 4.2 COc1ccc(C(=O)/C(=C\c2ccco2)N2C=CC=CC2=C(C#N)C#N)cc1 nan
282594 45345 17 None -4 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 331 2 0 3 3.7 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 nan
CHEMBL1526855 45345 17 None -4 5 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 331 2 0 3 3.7 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)C1CCCCC1 nan
56953919 73416 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 10.1021/jm201533b
CHEMBL2016597 73416 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometryAntagonist activity at S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced cAMP response after 90 mins by spectrophotometry
ChEMBL 504 11 3 5 4.7 O=C(Cc1cnc[nH]1)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2cccc(Cl)c2)cc1 10.1021/jm201533b
2402478 49713 6 None -4 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 429 8 0 7 3.0 CN(CCC#N)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 nan
CHEMBL1566808 49713 6 None -4 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 429 8 0 7 3.0 CN(CCC#N)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 nan
2585205 54013 7 None -6 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 369 5 1 6 2.4 CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1605956 54013 7 None -6 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 369 5 1 6 2.4 CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 nan
367432 26747 12 None -15 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 326 5 0 4 3.0 CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC nan
CHEMBL1362503 26747 12 None -15 3 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 326 5 0 4 3.0 CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC nan
44437421 14707 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 640 19 3 7 7.7 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL1206186 14707 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 640 19 3 7 7.7 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
CHEMBL239876 14707 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assayAntagonist activity at human S1P1 receptor expressed in CHO cell membrane by cAMP assay
ChEMBL 640 19 3 7 7.7 CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)O)cc1 10.1016/j.bmc.2007.02.048
2418645 48701 6 None -2 2 Human 5.0 pIC50 = 5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 380 4 0 5 1.9 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(Cc2ccccc2)CC1 nan
CHEMBL1558021 48701 6 None -2 2 Human 5.0 pIC50 = 5 Functional
PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]PUBCHEM_BIOASSAY: Fluorescence-based counterscreen assay for S1P4 antagonists: Cell-based dose response high throughput screening assay to identify antagonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1). (Class of assay: confirmatory) [Related pubchem assays: 1524 (Confirmation screen.), 1510 (Primary screen.)]
ChEMBL 380 4 0 5 1.9 O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(Cc2ccccc2)CC1 nan
25182913 148297 0 None 34 2 Human 8.0 pKi = 8 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 378 6 2 5 4.0 CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 nan
CHEMBL3936796 148297 0 None 34 2 Human 8.0 pKi = 8 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 378 6 2 5 4.0 CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 nan
25182911 146493 0 None - 1 Human 6.0 pKi = 6.0 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 471 8 1 6 3.8 Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3922393 146493 0 None - 1 Human 6.0 pKi = 6.0 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 471 8 1 6 3.8 Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25182923 7886 0 None - 1 Human 7.9 pKi = 7.9 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090066 7886 0 None - 1 Human 7.9 pKi = 7.9 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 437 10 3 6 3.5 O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182781 6164 0 None - 1 Human 5.8 pKi = 5.8 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081079 6164 0 None - 1 Human 5.8 pKi = 5.8 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 312 4 3 5 3.2 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCCC2)ncn1 nan
2931 4065 37 None - 0 Human 7.8 pKi = 7.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
6857802 4065 37 None - 0 Human 7.8 pKi = 7.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
CHEMBL1221649 4065 37 None - 0 Human 7.8 pKi = 7.8 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
25154344 6538 0 None 20 3 Human 8.7 pKi = 8.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1082869 6538 0 None 20 3 Human 8.7 pKi = 8.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 515 11 3 7 3.3 Cc1cc(S(=O)(=O)NCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25182780 7575 0 None - 1 Human 5.7 pKi = 5.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 6 3 5 3.0 O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087770 7575 0 None - 1 Human 5.7 pKi = 5.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 6 3 5 3.0 O=C(Nc1ccc(CCO)cc1)c1cc(NC2CCCCC2)ncn1 nan
25182623 6101 0 None - 1 Human 5.7 pKi = 5.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 nan
CHEMBL1080748 6101 0 None - 1 Human 5.7 pKi = 5.7 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 298 4 3 5 2.8 O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 nan
25182934 154244 0 None - 1 Human 7.6 pKi = 7.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 366 8 2 6 2.5 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL3986235 154244 0 None - 1 Human 7.6 pKi = 7.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 366 8 2 6 2.5 COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
25182930 144357 0 None - 0 Human 5.6 pKi = 5.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 571 11 2 8 4.6 Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3905719 144357 0 None - 0 Human 5.6 pKi = 5.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 571 11 2 8 4.6 Cc1cc(S(=O)(=O)NCCC(=O)OC(C)(C)C)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
57699087 103595 0 None - 1 Human 6.6 pKi = 6.6 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 362 6 1 6 2.1 CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 10.1016/j.bmcl.2013.09.058
CHEMBL3086532 103595 0 None - 1 Human 6.6 pKi = 6.6 Functional
Antagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assayAntagonist activity at human S1P1 receptor expressed in HEK293 cells assessed as inhibition of S1P-induced decrease in cAMP formation by [35S]GTPgammaS binding assay
ChEMBL 362 6 1 6 2.1 CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1 10.1016/j.bmcl.2013.09.058
59446950 152805 0 None - 1 Human 7.6 pKi = 7.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 349 7 2 4 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ccc23)ncn1 nan
CHEMBL3973776 152805 0 None - 1 Human 7.6 pKi = 7.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 349 7 2 4 3.8 CCCN(CC1CC1)c1cc(C(=O)Nc2cccc3[nH]ccc23)ncn1 nan
25182751 7491 0 None - 1 Human 6.6 pKi = 6.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
CHEMBL1087139 7491 0 None - 1 Human 6.6 pKi = 6.6 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 389 6 3 6 2.8 CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 nan
6857803 15633 23 None - 0 Human 5.6 pKi = 5.6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1 10.1038/nchembio804
CHEMBL1221650 15633 23 None - 0 Human 5.6 pKi = 5.6 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of SEW2871-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1 10.1038/nchembio804
25182925 7938 0 None - 1 Human 7.5 pKi = 7.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090422 7938 0 None - 1 Human 7.5 pKi = 7.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 10 2 6 3.8 CN(CC(=O)O)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182910 6124 0 None - 1 Human 8.5 pKi = 8.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
CHEMBL1080880 6124 0 None - 1 Human 8.5 pKi = 8.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 338 7 2 5 3.2 CCCN(CCC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1 nan
25182783 150967 0 None - 1 Human 8.5 pKi = 8.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 447 8 2 7 2.5 COCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
CHEMBL3958225 150967 0 None - 1 Human 8.5 pKi = 8.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 447 8 2 7 2.5 COCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 nan
25182622 147248 0 None - 0 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 5 3 5 3.4 O=C(Nc1ccc(O)cc1)c1cc(NCC2CCCCC2)ncn1 nan
CHEMBL3928554 147248 0 None - 0 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 5 3 5 3.4 O=C(Nc1ccc(O)cc1)c1cc(NCC2CCCCC2)ncn1 nan
25182750 151469 0 None - 1 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 297 4 2 5 2.9 O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3962156 151469 0 None - 1 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 297 4 2 5 2.9 O=C(Nc1ccncc1)c1cc(NC2CCCCC2)ncn1 nan
25182745 6269 1 None - 1 Human 6.5 pKi = 6.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081655 6269 1 None - 1 Human 6.5 pKi = 6.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 330 4 3 5 3.3 O=C(Nc1ccc(O)cc1F)c1cc(NC2CCCCC2)ncn1 nan
25182749 142972 0 None - 1 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 4 3 5 4.5 O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3894385 142972 0 None - 1 Human 5.5 pKi = 5.5 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 4 3 5 4.5 O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
25182746 5566 0 None - 1 Human 6.4 pKi = 6.4 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1076723 5566 0 None - 1 Human 6.4 pKi = 6.4 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1 nan
25182929 142460 0 None - 1 Human 7.4 pKi = 7.4 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 354 8 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CO)cc2C)ncn1 nan
CHEMBL3890236 142460 0 None - 1 Human 7.4 pKi = 7.4 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 354 8 2 5 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CO)cc2C)ncn1 nan
25182765 7518 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1087282 7518 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 336 4 3 5 3.4 O=C(Nc1ccc2[nH]ncc2c1)c1cc(NC2CCCCC2)ncn1 nan
6857803 15633 23 None - 0 Human 5.3 pKi = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1 10.1038/nchembio804
CHEMBL1221650 15633 23 None - 0 Human 5.3 pKi = 5.3 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(NC(=O)[C@@H](N)CCP(=O)(O)O)c1 10.1038/nchembio804
2931 4065 37 None - 0 Human 5.3 pKi = 5.3 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
6857802 4065 37 None - 0 Human 5.3 pKi = 5.3 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
CHEMBL1221649 4065 37 None - 0 Human 5.3 pKi = 5.3 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
25182744 147621 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3931316 147621 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 346 4 3 5 3.8 O=C(Nc1ccc(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 nan
25182921 7598 0 None - 1 Human 7.3 pKi = 7.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1087911 7598 0 None - 1 Human 7.3 pKi = 7.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 407 8 1 5 4.3 CN(C)Cc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25182625 149879 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 362 4 3 5 4.3 O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL3949207 149879 0 None - 1 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 362 4 3 5 4.3 O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1 nan
25182621 6268 0 None -4 2 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
CHEMBL1081654 6268 0 None -4 2 Human 6.3 pKi = 6.3 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 3 5 3.5 Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCC2)ncn1 nan
46881537 7323 0 None 169 2 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 nan
CHEMBL1086157 7323 0 None 169 2 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 475 12 3 7 2.4 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)NCCC(=O)O)cc2C)ncn1 nan
25182747 144493 0 None - 1 Human 6.2 pKi = 6.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 4 3 5 3.8 Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C nan
CHEMBL3906861 144493 0 None - 1 Human 6.2 pKi = 6.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 4 3 5 3.8 Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C nan
25182904 143418 0 None - 1 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 403 8 2 6 2.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
CHEMBL3898098 143418 0 None - 1 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 403 8 2 6 2.3 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1 nan
25182928 145967 0 None 81 2 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 463 9 2 6 3.8 O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL3918272 145967 0 None 81 2 Human 8.2 pKi = 8.2 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 463 9 2 6 3.8 O=C(Nc1ccc(CN2CC(C(=O)O)C2)cc1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25182748 146494 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 4 3 5 3.8 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)cc1O nan
CHEMBL3922396 146494 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 340 4 3 5 3.8 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(C)cc1O nan
2931 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
6857802 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
CHEMBL1221649 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
Antagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma bindingAntagonist activity at human S1P1 receptor expressed in CHO cells assessed as inhibition of S1P-induced [35S]GTPgamma binding
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1038/nchembio804
2931 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
6857802 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
CHEMBL1221649 4065 37 None - 0 Human 7.1 pKi = 7.1 Functional
PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory) PUBCHEM_BIOASSAY: Cell-membrane dose response assay to identify antagonists of the Sphingosine 1-Phosphate receptor 1 (S1P1). (Class of assay: confirmatory)
ChEMBL 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N nan
46881538 7324 0 None 66 2 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
CHEMBL1086158 7324 0 None 66 2 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 529 12 3 7 3.7 Cc1cc(S(=O)(=O)NCCCC(=O)O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 nan
25183067 152138 0 None - 1 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 411 11 3 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1 nan
CHEMBL3968014 152138 0 None - 1 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 411 11 3 6 2.8 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCC(=O)O)cc2C)ncn1 nan
25182758 6199 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 nan
CHEMBL1081270 6199 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 2 5 3.2 CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1 nan
25182757 6197 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
CHEMBL1081268 6197 0 None - 1 Human 6.1 pKi = 6.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 320 4 3 5 3.5 Cc1ccccc1Nc1cc(C(=O)Nc2ccc(O)cc2)ncn1 nan
25182926 7939 0 None -3 3 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
CHEMBL1090423 7939 0 None -3 3 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 11 3 6 3.8 O=C(O)CCNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 nan
25183065 152835 0 None - 1 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 425 12 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(=O)O)cc2C)ncn1 nan
CHEMBL3974061 152835 0 None - 1 Human 8.1 pKi = 8.1 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 425 12 3 6 3.2 CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(=O)O)cc2C)ncn1 nan
25182624 153336 0 None - 1 Human 6.0 pKi = 6.0 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 3 5 3.5 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O nan
CHEMBL3978322 153336 0 None - 1 Human 6.0 pKi = 6.0 Functional
Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Binding Assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4° C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4° C., the supematant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80° C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 326 4 3 5 3.5 Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O nan
49869062 3655 0 None -28 2 Human 7.9 pA2 = 7.9 Functional
In a &beta;-arrestin assay.In a &beta;-arrestin assay.
Guide to Pharmacology 513 10 4 5 5.8 CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N 26494861
9493 3655 0 None -28 2 Human 7.9 pA2 = 7.9 Functional
In a &beta;-arrestin assay.In a &beta;-arrestin assay.
Guide to Pharmacology 513 10 4 5 5.8 CCC[C@@](COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cc(ccc1O)C(F)(F)F)N 26494861
11363176 3147 47 None 3 4 Human 8.1 pEC50 = 8.1 Functional
Mechanism of ActionMechanism of Action
Drug Central 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C None
5446 3147 47 None 3 4 Human 8.1 pEC50 = 8.1 Functional
Mechanism of ActionMechanism of Action
Drug Central 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C None
9320 3147 47 None 3 4 Human 8.1 pEC50 = 8.1 Functional
Mechanism of ActionMechanism of Action
Drug Central 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C None
CHEMBL1096146 3147 47 None 3 4 Human 8.1 pEC50 = 8.1 Functional
Mechanism of ActionMechanism of Action
Drug Central 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C None
DB12016 3147 47 None 3 4 Human 8.1 pEC50 = 8.1 Functional
Mechanism of ActionMechanism of Action
Drug Central 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C None
52938427 2982 55 None 33 5 Human 8.0 pEC50 = 8.0 Functional
NoneNone
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
5383 2982 55 None 33 5 Human 8.0 pEC50 = 8.0 Functional
NoneNone
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
8709 2982 55 None 33 5 Human 8.0 pEC50 = 8.0 Functional
NoneNone
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
CHEMBL3707247 2982 55 None 33 5 Human 8.0 pEC50 = 8.0 Functional
NoneNone
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
DB12612 2982 55 None 33 5 Human 8.0 pEC50 = 8.0 Functional
NoneNone
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
44599207 3607 43 None 3 5 Human 8.0 pEC50 = 8.0 Functional
Possible mechanism of actionPossible mechanism of action
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
5326 3607 43 None 3 5 Human 8.0 pEC50 = 8.0 Functional
Possible mechanism of actionPossible mechanism of action
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
9289 3607 43 None 3 5 Human 8.0 pEC50 = 8.0 Functional
Possible mechanism of actionPossible mechanism of action
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
CHEMBL2336071 3607 43 None 3 5 Human 8.0 pEC50 = 8.0 Functional
Possible mechanism of actionPossible mechanism of action
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
DB12371 3607 43 None 3 5 Human 8.0 pEC50 = 8.0 Functional
Possible mechanism of actionPossible mechanism of action
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
107970 1637 83 None -30 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
Drug Central 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N None
2407 1637 83 None -30 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
Drug Central 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N None
4167 1637 83 None -30 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
Drug Central 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N None
CHEMBL314854 1637 83 None -30 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
Drug Central 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N None
DB08868 1637 83 None -30 4 Human 8.0 pEC50 = 8.0 Functional
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
Drug Central 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N None
52938426 3374 12 None 70 5 Human 9.6 pEC50 = 9.6 Functional
As measured in a GTP&gamma;S assay.As measured in a GTP&gamma;S assay.
Guide to Pharmacology 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N 29608575
9889 3374 12 None 70 5 Human 9.6 pEC50 = 9.6 Functional
As measured in a GTP&gamma;S assay.As measured in a GTP&gamma;S assay.
Guide to Pharmacology 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N 29608575
CHEMBL3899384 3374 12 None 70 5 Human 9.6 pEC50 = 9.6 Functional
As measured in a GTP&gamma;S assay.As measured in a GTP&gamma;S assay.
Guide to Pharmacology 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N 29608575
11493 684 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Data generated using the phosphate metabolite, in a GTP&gamma;S recruitment assayData generated using the phosphate metabolite, in a GTP&gamma;S recruitment assay
Guide to Pharmacology 379 6 2 3 4.4 OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC 30785748
118877516 684 0 None - 1 Human 9.2 pEC50 = 9.2 Functional
Data generated using the phosphate metabolite, in a GTP&gamma;S recruitment assayData generated using the phosphate metabolite, in a GTP&gamma;S recruitment assay
Guide to Pharmacology 379 6 2 3 4.4 OC[C@@]1(N)CC[C@@H](C1)c1ccc2c(c1)CC[C@H](C2)CCc1ccccc1OC 30785748
49848557 1097 0 None 6 5 Human 8.8 pEC50 = 8.8 Functional
In &beta;-arrestin and receptor internalisation assays.In &beta;-arrestin and receptor internalisation assays.
Guide to Pharmacology 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 26751273
9492 1097 0 None 6 5 Human 8.8 pEC50 = 8.8 Functional
In &beta;-arrestin and receptor internalisation assays.In &beta;-arrestin and receptor internalisation assays.
Guide to Pharmacology 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 26751273
CHEMBL3769933 1097 0 None 6 5 Human 8.8 pEC50 = 8.8 Functional
In &beta;-arrestin and receptor internalisation assays.In &beta;-arrestin and receptor internalisation assays.
Guide to Pharmacology 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 26751273
44623998 1594 38 None -3 8 Human 8.2 pEC50 = 8.2 Functional
In a &beta;-arrestin recruitment assay.In a &beta;-arrestin recruitment assay.
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 25516790
9331 1594 38 None -3 8 Human 8.2 pEC50 = 8.2 Functional
In a &beta;-arrestin recruitment assay.In a &beta;-arrestin recruitment assay.
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 25516790
CHEMBL3358920 1594 38 None -3 8 Human 8.2 pEC50 = 8.2 Functional
In a &beta;-arrestin recruitment assay.In a &beta;-arrestin recruitment assay.
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 25516790
DB14766 1594 38 None -3 8 Human 8.2 pEC50 = 8.2 Functional
In a &beta;-arrestin recruitment assay.In a &beta;-arrestin recruitment assay.
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 25516790
52938427 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
5383 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
8709 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
CHEMBL3707247 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
DB12612 2982 55 None 33 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
44599207 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 24900670
44599207 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 29735753
5326 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 24900670
5326 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 29735753
9289 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 24900670
9289 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 29735753
CHEMBL2336071 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 24900670
CHEMBL2336071 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 29735753
DB12371 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 24900670
DB12371 3607 43 None 3 5 Human 9.4 pEC50 = 9.4 Functional
In a GTP&gamma;S binding assayIn a GTP&gamma;S binding assay
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 29735753
52938427 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 18708635
52938427 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
5383 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 18708635
5383 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
8709 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 18708635
8709 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
CHEMBL3707247 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 18708635
CHEMBL3707247 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
DB12612 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 18708635
DB12612 2982 55 None 33 5 Human 9.8 pEC50 = 9.8 Functional
In a cAMP assay.In a cAMP assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
11363176 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>
Guide to Pharmacology 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 20446681
5446 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>
Guide to Pharmacology 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 20446681
9320 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>
Guide to Pharmacology 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 20446681
CHEMBL1096146 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>
Guide to Pharmacology 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 20446681
DB12016 3147 47 None 3 4 Human 8.0 pEC50 = 8.0 Functional
In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>In a radioligand binding assay using membranes from CHO cells expressing human S1P<sub>1</sub>
Guide to Pharmacology 460 8 2 6 4.3 CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C 20446681
57704582 399 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
In an intracellular Ca<sup>2+</sup> mobilization assay.In an intracellular Ca<sup>2+</sup> mobilization assay.
Guide to Pharmacology 457 14 4 5 3.8 CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N 27714763
9491 399 0 None - 1 Human 10.1 pEC50 = 10.1 Functional
In an intracellular Ca<sup>2+</sup> mobilization assay.In an intracellular Ca<sup>2+</sup> mobilization assay.
Guide to Pharmacology 457 14 4 5 3.8 CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N 27714763
2923 2586 0 None -2 3 Rat 8.8 pEC50 = 8.8 Functional
Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17006328
56947075 2586 0 None -2 3 Rat 8.8 pEC50 = 8.8 Functional
Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17006328
67468687 2586 0 None -2 3 Rat 8.8 pEC50 = 8.8 Functional
Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.Potency determined in CHO-K1 cells were stably expressing rat S1P<sub>1</sub>R using a calcium mobilization assay.
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17006328
44599207 3607 43 None 3 5 Human 10.1 pEC50 = 10.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 31805144
5326 3607 43 None 3 5 Human 10.1 pEC50 = 10.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 31805144
9289 3607 43 None 3 5 Human 10.1 pEC50 = 10.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 31805144
CHEMBL2336071 3607 43 None 3 5 Human 10.1 pEC50 = 10.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 31805144
DB12371 3607 43 None 3 5 Human 10.1 pEC50 = 10.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C 31805144
57704582 399 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 14 4 5 3.8 CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N 31805144
9491 399 0 None - 1 Human 10.9 pEC50 = 10.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 14 4 5 3.8 CCCCCCCOc1ccc(cc1C(F)(F)F)CC[C@](COP(=O)(O)O)(CO)N 31805144
10309 3373 0 None - 1 Human 11.1 pEC50 = 11.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 432 8 2 7 4.1 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O 21445057
50911934 3373 0 None - 1 Human 11.1 pEC50 = 11.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 432 8 2 7 4.1 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O 21445057
CHEMBL3960697 3373 0 None - 1 Human 11.1 pEC50 = 11.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 432 8 2 7 4.1 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O 21445057
12569 3684 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 361 10 0 4 4.1 CCCCCCCOC1=CC=C(CCC23COCCN2CCOC3)C=C1 34500564
167993655 3684 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 361 10 0 4 4.1 CCCCCCCOC1=CC=C(CCC23COCCN2CCOC3)C=C1 34500564
2926 3593 78 None 1 3 Mouse 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
4077460 3593 78 None 1 3 Mouse 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
CHEMBL224720 3593 78 None 1 3 Mouse 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
11311 1875 0 None 3 2 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 8 1 7 5.1 OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C 27128606
24988201 1875 0 None 3 2 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 8 1 7 5.1 OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C 27128606
CHEMBL4297542 1875 0 None 3 2 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 8 1 7 5.1 OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C 27128606
DB11987 1875 0 None 3 2 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 8 1 7 5.1 OC(=O)CCCn1ccc2c1cccc2c1noc(n1)c1cnc(c(c1)Cl)OC(C)C 27128606
2926 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
2926 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 18708635
4077460 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
4077460 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 18708635
CHEMBL224720 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
CHEMBL224720 3593 78 None -1 3 Human 7.7 pEC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 18708635
117972004 1970 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 7 1 5 4.3 Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O None
12098 1970 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 7 1 5 4.3 Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O None
CHEMBL4097139 1970 0 None - 1 Human 8.0 pEC50 = 8.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 7 1 5 4.3 Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O None
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11967257
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
10883396 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9765227
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11967257
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
5283560 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9765227
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11967257
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
911 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9765227
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11967257
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
CHEMBL225155 3647 45 None -1 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9765227
2927 1294 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 311 6 0 6 3.6 CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1 18708635
976135 1294 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 311 6 0 6 3.6 CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1 18708635
CHEMBL1452805 1294 0 None - 1 Human 8.5 pEC50 = 8.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 311 6 0 6 3.6 CCOc1cc(ccc1OCC)c1onc(n1)c1ccncc1 18708635
10904818 303 0 None 1 4 Human 8.6 pEC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 11967257
2937 303 0 None 1 4 Human 8.6 pEC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 11967257
CHEMBL382739 303 0 None 1 4 Human 8.6 pEC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 373 13 3 4 3.8 CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C 11967257
11494 676 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 331 7 2 3 3.6 CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO 33492963
118877241 676 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 331 7 2 3 3.6 CCOCCC[C@@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO 33492963
11495 677 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 345 8 2 3 4.0 COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO 33492963
118877392 677 0 None - 1 Human 8.7 pEC50 = 8.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 345 8 2 3 4.0 COCCCCC[C@H]1CCc2c(C1)ccc(c2)[C@H]1CC[C@](C1)(N)CO 33492963
2924 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
2924 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
44398069 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
44398069 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
9908268 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
9908268 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
CHEMBL114606 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
CHEMBL114606 1638 43 None 2 7 Human 8.8 pEC50 = 8.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
2924 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
2924 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 17898319
44398069 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
44398069 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 17898319
9908268 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
9908268 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 17898319
CHEMBL114606 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 11967257
CHEMBL114606 1638 43 None -2 7 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 17898319
10883396 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
10883396 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
5283560 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
5283560 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
911 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
911 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
CHEMBL225155 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 14732717
CHEMBL225155 3647 45 None -1 15 Mouse 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
25110406 1295 53 None 70 4 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC 18708635
2928 1295 53 None 70 4 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC 18708635
CHEMBL3922179 1295 53 None 70 4 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 409 9 2 7 3.8 OCCNC1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)OCC)OCC 18708635
11259583 524 17 None -1 7 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
2925 524 17 None -1 7 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
CHEMBL4579553 524 17 None -1 7 Human 8.9 pEC50 = 8.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
49871973 877 0 None - 1 Human 9.0 pEC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 453 9 2 8 4.1 OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O 29226621
9824 877 0 None - 1 Human 9.0 pEC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 453 9 2 8 4.1 OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O 29226621
CHEMBL4297505 877 0 None - 1 Human 9.0 pEC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 453 9 2 8 4.1 OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O 29226621
DB12705 877 0 None - 1 Human 9.0 pEC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 453 9 2 8 4.1 OC[C@@H](COc1c(C)cc(cc1CC)c1noc(n1)c1cc(OC)nc(c1)C1CCCC1)O 29226621
11259583 524 17 None 1 7 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
2925 524 17 None 1 7 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
CHEMBL4579553 524 17 None 1 7 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 17114004
2923 2586 0 None 2 3 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17898319
56947075 2586 0 None 2 3 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17898319
67468687 2586 0 None 2 3 Mouse 9.1 pEC50 = 9.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 509 11 4 6 5.0 OCC(COP(=O)(O)O)(CCc1ccc(cc1Cl)Sc1cccc(c1)Oc1ccccc1)N 17898319
44623998 1594 38 None -3 8 Human 9.2 pEC50 = 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 31805144
9331 1594 38 None -3 8 Human 9.2 pEC50 = 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 31805144
CHEMBL3358920 1594 38 None -3 8 Human 9.2 pEC50 = 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 31805144
DB14766 1594 38 None -3 8 Human 9.2 pEC50 = 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 31805144
52938427 2982 55 None 33 5 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 31805144
5383 2982 55 None 33 5 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 31805144
8709 2982 55 None 33 5 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 31805144
CHEMBL3707247 2982 55 None 33 5 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 31805144
DB12612 2982 55 None 33 5 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 31805144
2924 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
44398069 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
9908268 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
CHEMBL114606 1638 43 None 2 7 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
10883396 3647 45 None -1 15 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 31805144
5283560 3647 45 None -1 15 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 31805144
911 3647 45 None -1 15 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 31805144
CHEMBL225155 3647 45 None -1 15 Human 9.5 pEC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 31805144
10938 3469 0 None - 1 Human 7.1 pEC50 ~ 7.1 Functional
Measurements of inhibition of cAMP production in S1P<sub>1</sub>-CHO cells.Measurements of inhibition of cAMP production in S1P<sub>1</sub>-CHO cells.
Guide to Pharmacology 425 6 1 7 4.8 OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl 32487716
53312127 3469 0 None - 1 Human 7.1 pEC50 ~ 7.1 Functional
Measurements of inhibition of cAMP production in S1P<sub>1</sub>-CHO cells.Measurements of inhibition of cAMP production in S1P<sub>1</sub>-CHO cells.
Guide to Pharmacology 425 6 1 7 4.8 OC(=O)COc1c(C)cc(cc1C)c1nc2c(o1)nc(nc2)Oc1cccc(c1)Cl 32487716
107970 1637 83 None -30 4 Human 6.1 pIC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 15615513
2407 1637 83 None -30 4 Human 6.1 pIC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 15615513
4167 1637 83 None -30 4 Human 6.1 pIC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 15615513
CHEMBL314854 1637 83 None -30 4 Human 6.1 pIC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 15615513
DB08868 1637 83 None -30 4 Human 6.1 pIC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 15615513
46872626 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 26509640
9496 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 26509640
CHEMBL3741589 215 28 None -72 2 Human 6.4 pIC50 = 6.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 26509640
11545181 4013 6 None 1 3 Human 7.6 pIC50 = 7.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298
2930 4013 6 None 1 3 Human 7.6 pIC50 = 7.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298
CHEMBL389033 4013 6 None 1 3 Human 7.6 pIC50 = 7.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298
59393720 2817 29 None 109 2 Human 8.6 pIC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
6997 2817 29 None 109 2 Human 8.6 pIC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
CHEMBL3086703 2817 29 None 109 2 Human 8.6 pIC50 = 8.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
2924 1638 43 None 2 7 Human 9.5 pIC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
44398069 1638 43 None 2 7 Human 9.5 pIC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
9908268 1638 43 None 2 7 Human 9.5 pIC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
CHEMBL114606 1638 43 None 2 7 Human 9.5 pIC50 = 9.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 14747617
10430549 1047 39 None 1 4 Human 9.2 pIC50 None 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 16190743
2929 1047 39 None 1 4 Human 9.2 pIC50 None 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 16190743
CHEMBL194419 1047 39 None 1 4 Human 9.2 pIC50 None 9.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 16190743




Ligands (move mouse cursor over ligand name to see structure) Receptor Activity Chemical information
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2924 1638 43 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
44398069 1638 43 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
9908268 1638 43 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
CHEMBL114606 1638 43 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
11452022 3594 39 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
6996 3594 39 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
CHEMBL366208 3594 39 None - 0 Human 10.7 pEC50 = 10.7 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
2924 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
44398069 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
9908268 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
CHEMBL114606 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
2924 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
44398069 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
9908268 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
CHEMBL114606 1638 43 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.0c01109
11452022 3594 39 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
6996 3594 39 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
CHEMBL366208 3594 39 None - 0 Human 10.2 pEC50 = 10.2 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.8b01695
124171486 137441 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 446 8 2 8 3.6 CC(C)Oc1ccc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1C#N 10.1016/j.bmcl.2015.11.090
CHEMBL3753584 137441 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 446 8 2 8 3.6 CC(C)Oc1ccc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1C#N 10.1016/j.bmcl.2015.11.090
76325522 105732 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 480 10 3 8 3.2 CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
CHEMBL3126433 105732 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 480 10 3 8 3.2 CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
76321895 105760 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 482 12 3 8 3.4 CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
CHEMBL3126607 105760 0 None - 0 Human 10.0 pEC50 = 10 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 482 12 3 8 3.4 CCc1cc(-c2noc(-c3ccnc(C(CC)CC)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
10883396 3647 45 None -1 4 Human 10.0 pEC50 = 10 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
5283560 3647 45 None -1 4 Human 10.0 pEC50 = 10 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
911 3647 45 None -1 4 Human 10.0 pEC50 = 10 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
CHEMBL225155 3647 45 None -1 4 Human 10.0 pEC50 = 10 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
67250606 150355 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Homogeneous Time-Resolved Fluorescence (HTRF) Assay: The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist of the S1P1 receptor (e.g., human S1P1 receptor) using the HTRF assay for direct cAMP measurement (Gabriel et al., Assay and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with S1P1. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog #CCL-61). The compound was determined to be an agonist of the S1P1 receptor and was detected in the HTRF assay for direct cAMP measurement as a compound which decreased cAMP concentration. The HTRF assay has been used to determine EC50 values for S1P1 receptor agonists.Principle of the assay: HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2.Homogeneous Time-Resolved Fluorescence (HTRF) Assay: The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist of the S1P1 receptor (e.g., human S1P1 receptor) using the HTRF assay for direct cAMP measurement (Gabriel et al., Assay and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with S1P1. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog #CCL-61). The compound was determined to be an agonist of the S1P1 receptor and was detected in the HTRF assay for direct cAMP measurement as a compound which decreased cAMP concentration. The HTRF assay has been used to determine EC50 values for S1P1 receptor agonists.Principle of the assay: HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2.
ChEMBL 471 6 1 3 7.0 COC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 nan
CHEMBL3953201 150355 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Homogeneous Time-Resolved Fluorescence (HTRF) Assay: The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist of the S1P1 receptor (e.g., human S1P1 receptor) using the HTRF assay for direct cAMP measurement (Gabriel et al., Assay and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with S1P1. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog #CCL-61). The compound was determined to be an agonist of the S1P1 receptor and was detected in the HTRF assay for direct cAMP measurement as a compound which decreased cAMP concentration. The HTRF assay has been used to determine EC50 values for S1P1 receptor agonists.Principle of the assay: HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2.Homogeneous Time-Resolved Fluorescence (HTRF) Assay: The compound (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid was shown to be an agonist of the S1P1 receptor (e.g., human S1P1 receptor) using the HTRF assay for direct cAMP measurement (Gabriel et al., Assay and Drug Development Technologies, 1:291-303, 2003) and recombinant CHO-K1 cells stably transfected with S1P1. CHO-K1 cells were obtained from ATCC (Manassas, Va.; Catalog #CCL-61). The compound was determined to be an agonist of the S1P1 receptor and was detected in the HTRF assay for direct cAMP measurement as a compound which decreased cAMP concentration. The HTRF assay has been used to determine EC50 values for S1P1 receptor agonists.Principle of the assay: HTRF assay kit was purchased from Cisbio-US, Inc. (Bedford, Mass.; Catalog #62AM4PEC). The HTRF assay supported by the kit is a competitive immunoassay between endogenous cAMP produced by the CHO-K1 cells and tracer cAMP labeled with the dye d2.
ChEMBL 471 6 1 3 7.0 COC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 nan
78321974 140312 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
78321974 140312 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL3806205 140312 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL3806205 140312 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
118877433 177338 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL4637401 177338 0 None - 0 Human 10.0 pEC50 = 10.0 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
78321974 140312 0 None - 0 Human 9.9 pEC50 = 9.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
CHEMBL3806205 140312 0 None - 0 Human 9.9 pEC50 = 9.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assayAgonist activity at human S1P1 receptor expressed in CHO cells co-expressing GFP assessed as cellular internalization after 45 mins by Hoechst assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
127037196 137485 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 6 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753943 137485 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 6 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
76325532 105758 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
CHEMBL3126605 105758 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 468 11 3 8 2.7 CCc1cc(-c2noc(-c3ccnc(CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
162660222 181227 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 553 6 2 7 5.6 O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4761456 181227 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 553 6 2 7 5.6 O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
46847148 139376 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 8 1 8 3.9 CCCc1c(-c2ccccn2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1016/j.bmcl.2016.03.105
CHEMBL3793145 139376 0 None - 0 Human 9.7 pEC50 = 9.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 8 1 8 3.9 CCCc1c(-c2ccccn2)noc1-c1nc(-c2ccc(CN3CC(C(=O)O)C3)cc2)no1 10.1016/j.bmcl.2016.03.105
67168136 144715 0 None - 0 Human 9.6 pEC50 = 9.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3908750 144715 0 None - 0 Human 9.6 pEC50 = 9.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
67168053 180845 0 None - 0 Human 9.6 pEC50 = 9.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4757149 180845 0 None - 0 Human 9.6 pEC50 = 9.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
46835922 139453 13 None - 0 Human 9.6 pEC50 = 9.6 Binding
Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 minsInduction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
CHEMBL3794064 139453 13 None - 0 Human 9.6 pEC50 = 9.6 Binding
Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 minsInduction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00089
11452022 3594 39 None - 0 Human 9.6 pEC50 = 9.6 Binding
Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 minsInduction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.6b00089
6996 3594 39 None - 0 Human 9.6 pEC50 = 9.6 Binding
Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 minsInduction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.6b00089
CHEMBL366208 3594 39 None - 0 Human 9.6 pEC50 = 9.6 Binding
Induction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 minsInduction of internalization of C-terminal GFP-fused human S1P1 receptor expressed in CHO cell membranes after 50 mins
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.6b00089
107970 1637 83 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2013.09.058
2407 1637 83 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2013.09.058
4167 1637 83 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2013.09.058
CHEMBL314854 1637 83 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2013.09.058
DB08868 1637 83 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2013.09.058
76336361 105756 1 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
CHEMBL3126603 105756 1 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 454 10 3 8 2.6 CCc1cc(-c2noc(-c3ccnc(C(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
53235481 151140 0 None - 0 Rat 9.5 pEC50 = 9.5 Binding
Agonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3959509 151140 0 None - 0 Rat 9.5 pEC50 = 9.5 Binding
Agonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at rat S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
67169708 182322 0 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2nsc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4784344 182322 0 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2nsc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
162671724 182961 0 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 567 7 2 7 6.0 O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4792990 182961 0 None - 0 Human 9.5 pEC50 = 9.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 567 7 2 7 6.0 O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
11452022 3594 39 None - 0 Human 9.4 pEC50 = 9.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2015.11.090
6996 3594 39 None - 0 Human 9.4 pEC50 = 9.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2015.11.090
CHEMBL366208 3594 39 None - 0 Human 9.4 pEC50 = 9.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2015.11.090
118877584 182451 0 None - 0 Human 9.4 pEC50 = 9.4 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4786296 182451 0 None - 0 Human 9.4 pEC50 = 9.4 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
46835922 139453 13 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3794064 139453 13 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b01099
46835922 139453 13 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1016/j.bmcl.2016.03.105
CHEMBL3794064 139453 13 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 470 6 1 7 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1016/j.bmcl.2016.03.105
52914984 147556 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3930827 147556 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
124171496 137445 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 447 8 2 9 2.9 CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1C#N 10.1016/j.bmcl.2015.11.090
CHEMBL3753602 137445 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 447 8 2 9 2.9 CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1C#N 10.1016/j.bmcl.2015.11.090
127036262 137512 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 427 7 2 8 3.6 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(F)c3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754163 137512 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 427 7 2 8 3.6 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(F)c3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118717795 114832 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 547 9 3 9 2.2 N[C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)COP(=O)(O)O 10.1016/j.bmcl.2014.09.003
CHEMBL3341785 114832 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 547 9 3 9 2.2 N[C@H](COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F)COP(=O)(O)O 10.1016/j.bmcl.2014.09.003
118717777 115169 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 483 7 2 8 2.5 N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)C4CCCC4)CC3)s2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344419 115169 0 None - 0 Human 9.3 pEC50 = 9.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 483 7 2 8 2.5 N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)C4CCCC4)CC3)s2)cc1F 10.1016/j.bmcl.2014.09.003
67167161 182194 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4782854 182194 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2snc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
53235481 151140 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3959509 151140 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
127036057 137495 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 461 7 2 8 4.2 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754018 137495 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 461 7 2 8 4.2 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
53362086 116353 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359523 116353 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 481 7 1 4 6.6 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
67250226 116352 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359522 116352 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 438 7 1 5 5.5 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CC[C@@H]2CC(=O)O)cc1C#N 10.1021/ml500422m
76325531 105755 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 454 11 3 8 2.5 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
CHEMBL3126602 105755 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 454 11 3 8 2.5 CCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
46835914 139457 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 471 6 1 8 4.0 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1016/j.bmcl.2016.03.105
CHEMBL3794145 139457 0 None - 0 Human 9.2 pEC50 = 9.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 471 6 1 8 4.0 O=C(O)C1CN(Cc2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1016/j.bmcl.2016.03.105
127037451 137241 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 7 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3751872 137241 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 7 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
127037056 137390 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 6 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753209 137390 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 459 6 2 7 4.4 Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
124173228 137529 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 450 8 2 7 4.3 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754270 137529 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 450 8 2 7 4.3 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
127036244 137562 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 448 6 2 8 3.9 Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754653 137562 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 448 6 2 8 3.9 Cc1cc(-c2nc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
46847145 139381 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 8 1 8 3.9 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
CHEMBL3793185 139381 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 8 1 8 3.9 CCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
49873102 117962 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
CHEMBL3403631 117962 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 454 7 1 6 5.1 CC(C)Oc1ccc(COc2ccc3c(c2)c(Cl)c2n3CCOC2CC(=O)O)cc1C#N 10.1016/j.bmcl.2014.11.089
67169634 180991 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 509 5 1 6 5.6 Cc1cc2c(cc1CN1CC(C(=O)O)C1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F 10.1021/acs.jmedchem.6b01099
CHEMBL4758827 180991 0 None - 0 Human 9.1 pEC50 = 9.1 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 509 5 1 6 5.6 Cc1cc2c(cc1CN1CC(C(=O)O)C1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F 10.1021/acs.jmedchem.6b01099
10883396 3647 45 None -1 4 Human 9.1 pEC50 = 9.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
5283560 3647 45 None -1 4 Human 9.1 pEC50 = 9.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
911 3647 45 None -1 4 Human 9.1 pEC50 = 9.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
CHEMBL225155 3647 45 None -1 4 Human 9.1 pEC50 = 9.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
67170391 180302 0 None - 0 Human 9.0 pEC50 = 9.0 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 510 5 1 4 6.7 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4750972 180302 0 None - 0 Human 9.0 pEC50 = 9.0 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 510 5 1 4 6.7 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2ccc(C3CCCCC3)c(C(F)(F)F)c2)C1 10.1021/acs.jmedchem.6b01099
67171369 181689 0 None - 0 Human 9.0 pEC50 = 9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 496 5 1 7 4.7 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccn3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4776597 181689 0 None - 0 Human 9.0 pEC50 = 9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 496 5 1 7 4.7 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccn3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
46847146 139398 0 None - 0 Human 9.0 pEC50 = 9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 7 1 8 4.1 CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
CHEMBL3793394 139398 0 None - 0 Human 9.0 pEC50 = 9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 445 7 1 8 4.1 CC(C)c1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
59177011 122820 0 None - 0 Human 9.0 pEC50 = 9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 4 4.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605517 122820 0 None - 0 Human 9.0 pEC50 = 9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 4 4.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(F)c(Cl)cc21 10.1021/acs.jmedchem.5b01078
66955367 172190 0 None - 0 Human 9.0 pEC50 = 9.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 548 8 2 8 5.7 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(C5CCCCC5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4473672 172190 0 None - 0 Human 9.0 pEC50 = 9.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 548 8 2 8 5.7 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(C5CCCCC5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
11259583 524 17 None - 0 Human 8.9 pEC50 = 8.9 Binding
Activation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assayActivation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assay
ChEMBL 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 10.1016/j.bmcl.2018.10.042
2925 524 17 None - 0 Human 8.9 pEC50 = 8.9 Binding
Activation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assayActivation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assay
ChEMBL 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 10.1016/j.bmcl.2018.10.042
CHEMBL4579553 524 17 None - 0 Human 8.9 pEC50 = 8.9 Binding
Activation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assayActivation of human recombinant S1P1 expressed in CHO cell membranes after 120 mins by GTP-gamma-35S-binding assay
ChEMBL 455 7 2 3 6.8 OC(=O)CCNCc1ccc2c(c1)cc(s2)c1ccc(c(c1)C(F)(F)F)c1ccccc1 10.1016/j.bmcl.2018.10.042
49839234 117949 1 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
CHEMBL3403619 117949 1 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 472 6 3 3 6.1 O=C(O)CC1NCCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21 10.1016/j.bmcl.2014.11.089
49868651 171146 1 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4458575 171146 1 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
118717770 115162 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 481 7 2 8 2.5 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344412 115162 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 481 7 2 8 2.5 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
67172039 148988 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F 10.1021/acs.jmedchem.6b01099
CHEMBL3942289 148988 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F 10.1021/acs.jmedchem.6b01099
67170089 180045 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c(-c4onc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4747682 180045 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c(-c4onc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
53235408 180873 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 473 5 1 6 4.7 CC1(c2onc(-c3onc4c3CCc3cc(CN5CC(C(=O)O)C5)ccc3-4)c2C(F)(F)F)CC1 10.1021/acs.jmedchem.6b01099
CHEMBL4757437 180873 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 473 5 1 6 4.7 CC1(c2onc(-c3onc4c3CCc3cc(CN5CC(C(=O)O)C5)ccc3-4)c2C(F)(F)F)CC1 10.1021/acs.jmedchem.6b01099
2924 1638 43 None - 0 Human 8.9 pEC50 = 8.9 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2005.05.097
44398069 1638 43 None - 0 Human 8.9 pEC50 = 8.9 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2005.05.097
9908268 1638 43 None - 0 Human 8.9 pEC50 = 8.9 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2005.05.097
CHEMBL114606 1638 43 None - 0 Human 8.9 pEC50 = 8.9 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2005.05.097
127036427 137354 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)c(C)c3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752968 137354 0 None - 0 Human 8.9 pEC50 = 8.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)c(C)c3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
53235479 150560 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F 10.1021/acs.jmedchem.6b01099
CHEMBL3954922 150560 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F 10.1021/acs.jmedchem.6b01099
53234380 152412 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F 10.1021/acs.jmedchem.6b01099
CHEMBL3970572 152412 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F 10.1021/acs.jmedchem.6b01099
49848557 1097 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
9492 1097 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
CHEMBL3769933 1097 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
162656217 180965 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 561 7 2 8 4.0 CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 10.1021/acs.jmedchem.6b01099
CHEMBL4758481 180965 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 561 7 2 8 4.0 CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 10.1021/acs.jmedchem.6b01099
67168536 181425 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 510 5 1 7 5.1 CN1Cc2c(noc2-c2onc(-c3ccccc3)c2C(F)(F)F)-c2ccc(CN3CC(C(=O)O)C3)cc21 10.1021/acs.jmedchem.6b01099
CHEMBL4763970 181425 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 510 5 1 7 5.1 CN1Cc2c(noc2-c2onc(-c3ccccc3)c2C(F)(F)F)-c2ccc(CN3CC(C(=O)O)C3)cc21 10.1021/acs.jmedchem.6b01099
162662293 181444 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 513 5 1 6 5.4 O=C(O)C1CN(Cc2cc3c(cc2F)-c2noc(-c4noc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4764300 181444 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 513 5 1 6 5.4 O=C(O)C1CN(Cc2cc3c(cc2F)-c2noc(-c4noc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 10.1021/acs.jmedchem.6b01099
68182170 183029 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 448 8 1 6 4.4 CCOc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1OCC 10.1021/acs.jmedchem.6b01099
CHEMBL4793933 183029 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 448 8 1 6 4.4 CCOc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1OCC 10.1021/acs.jmedchem.6b01099
91758813 115160 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344410 115160 0 None - 0 Human 8.8 pEC50 = 8.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
76329075 105757 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 468 12 3 8 2.9 CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
CHEMBL3126604 105757 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 468 12 3 8 2.9 CCCCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
42610387 137288 6 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 419 8 2 5 5.1 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H](C)N[C@H]4C[C@@H](C(=O)O)C4)cc3)no2)cc1 10.1016/j.bmcl.2015.11.090
CHEMBL3752339 137288 6 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 419 8 2 5 5.1 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H](C)N[C@H]4C[C@@H](C(=O)O)C4)cc3)no2)cc1 10.1016/j.bmcl.2015.11.090
49847296 138248 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 438 6 1 9 2.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CC(=O)O)C2 10.1021/acs.jmedchem.5b01512
CHEMBL3770368 138248 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 438 6 1 9 2.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CC(=O)O)C2 10.1021/acs.jmedchem.5b01512
46928129 137536 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 472 8 2 8 4.2 CC(C)Oc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3754354 137536 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 472 8 2 8 4.2 CC(C)Oc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
49848426 138263 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
CHEMBL3770578 138263 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
127028156 138292 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 443 7 1 6 5.4 CC(C)Oc1ccc(-c2nnc(N3CCc4cc(CCC(=O)O)ccc43)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770821 138292 0 None - 0 Human 7.0 pEC50 = 7 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 443 7 1 6 5.4 CC(C)Oc1ccc(-c2nnc(N3CCc4cc(CCC(=O)O)ccc43)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127029099 138233 0 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 406 6 1 7 4.1 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CC(=O)O 10.1021/acs.jmedchem.5b01512
CHEMBL3770278 138233 0 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 406 6 1 7 4.1 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CC(=O)O 10.1021/acs.jmedchem.5b01512
127028462 138251 0 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 321 4 0 6 4.3 CC(C)Oc1ccc(-c2nnc(-c3ccno3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770423 138251 0 None - 0 Human 6.0 pEC50 = 6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 321 4 0 6 4.3 CC(C)Oc1ccc(-c2nnc(-c3ccno3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
59177085 122847 0 None - 0 Human 6.0 pEC50 = 6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605544 122847 0 None - 0 Human 6.0 pEC50 = 6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
44394289 12407 0 None - 0 Human 6.0 pEC50 = 6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 3.7 CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL1185803 12407 0 None - 0 Human 6.0 pEC50 = 6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 3.7 CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL433593 12407 0 None - 0 Human 6.0 pEC50 = 6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 3.7 CCCCCCCCc1ccc2[nH]c(C(C)(N)COP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
127029102 138168 0 None - 0 Human 5.0 pEC50 = 5 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 433 7 0 8 3.8 CC(C)Oc1ccc(-c2nnc(-c3cnn(CCN4CCOCC4)c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769524 138168 0 None - 0 Human 5.0 pEC50 = 5 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 433 7 0 8 3.8 CC(C)Oc1ccc(-c2nnc(-c3cnn(CCN4CCOCC4)c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
4318239 117815 10 None - 0 Human 6.0 pEC50 = 6.0 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 448 9 1 6 4.0 C=CCSc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
CHEMBL3402522 117815 10 None - 0 Human 6.0 pEC50 = 6.0 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 448 9 1 6 4.0 C=CCSc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
124173030 137366 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 452 8 2 8 3.9 Cc1nc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)ccc1OC(C)C 10.1016/j.bmcl.2015.11.090
CHEMBL3753049 137366 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 452 8 2 8 3.9 Cc1nc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)ccc1OC(C)C 10.1016/j.bmcl.2015.11.090
67249162 116350 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359520 116350 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
50923424 174447 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4553789 174447 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
124171444 137408 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 435 7 1 7 4.0 Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H]4CCC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753300 137408 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 435 7 1 7 4.0 Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H]4CCC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
50923273 174443 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4553546 174443 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
57395373 69891 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938944 69891 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cc(C(F)(F)F)c(-c3ccccc3)cn2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
118717785 115175 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 1 7 3.4 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCCO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344427 115175 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 1 7 3.4 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCCO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
118717787 115177 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 6 1 7 3.4 C[C@H](O)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CC(C)(C)C4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344429 115177 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 6 1 7 3.4 C[C@H](O)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CC(C)(C)C4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
118717788 115178 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 482 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](O)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344430 115178 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 482 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](O)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
59177293 122852 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 6 1 6 4.2 CCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605549 122852 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 6 1 6 4.2 CCn1c([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
72546270 103745 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 440 8 0 5 6.2 CCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1OCC 10.1016/j.bmcl.2013.09.075
CHEMBL3088205 103745 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 440 8 0 5 6.2 CCOc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1OCC 10.1016/j.bmcl.2013.09.075
59177172 122830 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccncc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605527 122830 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccncc21 10.1021/acs.jmedchem.5b01078
44599024 57399 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 473 6 1 5 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651862 57399 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 473 6 1 5 5.5 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
155513062 169698 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 529 7 2 9 4.3 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4437944 169698 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 529 7 2 9 4.3 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
118717781 115173 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@@H](CO)COc1cc(Cl)c(-c2noc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344423 115173 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@@H](CO)COc1cc(Cl)c(-c2noc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
59177113 122838 8 None - 0 Human 7.9 pEC50 = 7.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 422 5 1 5 4.0 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605535 122838 8 None - 0 Human 7.9 pEC50 = 7.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 422 5 1 5 4.0 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
49848429 138164 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 461 8 1 8 4.1 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769451 138164 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 461 8 1 8 4.1 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
49848430 138176 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769584 138176 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
44392705 66664 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
9821227 66664 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL185389 66664 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL332472 66664 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
127036403 137314 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 2 9 2.8 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752590 137314 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 2 9 2.8 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118717789 115179 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 482 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@H](O)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344431 115179 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 482 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@H](O)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
59176993 122841 0 None - 0 Human 4.9 pEC50 = 4.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 468 6 2 5 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605538 122841 0 None - 0 Human 4.9 pEC50 = 4.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 468 6 2 5 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)c(C)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
49848559 138215 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 366 4 1 8 2.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
CHEMBL3770025 138215 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 366 4 1 8 2.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
67284109 138190 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 389 4 1 7 3.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
CHEMBL3769705 138190 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 389 4 1 7 3.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
127028463 138245 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 1 5 4.3 Cc1[nH]ncc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1 10.1021/acs.jmedchem.5b01512
CHEMBL3770352 138245 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 1 5 4.3 Cc1[nH]ncc1-c1nnc(-c2ccc(OC(C)C)c(Cl)c2)s1 10.1021/acs.jmedchem.5b01512
67284479 138327 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771238 138327 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127028150 138191 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 403 7 2 6 5.0 CC(C)Oc1ccc(-c2nnc(Nc3ccc(CC(=O)O)cc3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769712 138191 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 403 7 2 6 5.0 CC(C)Oc1ccc(-c2nnc(Nc3ccc(CC(=O)O)cc3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
50923425 175360 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 474 8 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4574665 175360 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 474 8 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
127026677 137243 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 456 8 2 8 3.7 CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3751895 137243 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 456 8 2 8 3.7 CC(C)Oc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
124173275 137331 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 463 8 2 9 3.4 CC(C)Oc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1C#N 10.1016/j.bmcl.2015.11.090
CHEMBL3752726 137331 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 463 8 2 9 3.4 CC(C)Oc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1C#N 10.1016/j.bmcl.2015.11.090
2926 3593 78 None - 1 Human 7.9 pEC50 = 7.9 Binding
Inhibition of S1P1 receptor (unknown origin)Inhibition of S1P1 receptor (unknown origin)
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2018.10.042
4077460 3593 78 None - 1 Human 7.9 pEC50 = 7.9 Binding
Inhibition of S1P1 receptor (unknown origin)Inhibition of S1P1 receptor (unknown origin)
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2018.10.042
CHEMBL224720 3593 78 None - 1 Human 7.9 pEC50 = 7.9 Binding
Inhibition of S1P1 receptor (unknown origin)Inhibition of S1P1 receptor (unknown origin)
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1016/j.bmcl.2018.10.042
76311231 106076 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3133603 106076 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3780292 106076 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 460 11 4 6 3.7 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
124173031 137269 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 452 8 2 8 3.9 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(OC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752137 137269 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 452 8 2 8 3.9 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(OC(C)C)n1 10.1016/j.bmcl.2015.11.090
122186561 122821 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 388 5 1 5 3.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C#N)ccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605518 122821 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 388 5 1 5 3.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C#N)ccc21 10.1021/acs.jmedchem.5b01078
44342331 11414 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 428 16 4 4 4.5 CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL116953 11414 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 428 16 4 4 4.5 CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL1180214 11414 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 428 16 4 4 4.5 CCCCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
118717765 115156 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 453 7 2 8 1.7 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344406 115156 0 None - 0 Human 5.9 pEC50 = 5.9 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 453 7 2 8 1.7 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
53318125 57390 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651853 57390 0 None - 0 Human 6.9 pEC50 = 6.9 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)cnc4s3)c(F)c2)C1 10.1021/ml100306h
127037054 137527 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 7 2 8 3.6 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754266 137527 0 None - 0 Human 7.9 pEC50 = 7.9 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 7 2 8 3.6 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
117974113 144747 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
CHEMBL3908980 144747 0 None - 0 Mouse 7.8 pEC50 = 7.8 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
53319457 57388 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651851 57388 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4nc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100306h
127034810 137496 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 464 6 2 8 4.3 Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754020 137496 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 464 6 2 8 4.3 Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4COC[C@H]4O)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
49848427 138296 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 452 7 1 9 3.2 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
CHEMBL3770858 138296 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 452 7 1 9 3.2 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
127036428 137385 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 411 7 2 10 2.2 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753177 137385 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 411 7 2 10 2.2 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
44398049 13176 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 441 13 5 5 3.4 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1190950 13176 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 441 13 5 5 3.4 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL541890 13176 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 441 13 5 5 3.4 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
16737504 57346 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 363 6 1 3 4.8 CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
CHEMBL1651704 57346 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 363 6 1 3 4.8 CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
118729160 117831 0 None - 0 Human 4.8 pEC50 = 4.8 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 391 7 1 5 3.5 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)o1 10.1016/j.bmcl.2015.03.095
CHEMBL3402539 117831 0 None - 0 Human 4.8 pEC50 = 4.8 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 391 7 1 5 3.5 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)o1 10.1016/j.bmcl.2015.03.095
127031485 138883 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 396 9 4 6 2.5 CC(O)Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3781997 138883 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 396 9 4 6 2.5 CC(O)Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3782067 138883 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 396 9 4 6 2.5 CC(O)Cc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
16736755 57357 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 413 8 1 4 5.4 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3Cl)cc2c1 10.1021/ml100227q
CHEMBL1651714 57357 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 413 8 1 4 5.4 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3Cl)cc2c1 10.1021/ml100227q
67284109 138190 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 389 4 1 7 3.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
CHEMBL3769705 138190 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 389 4 1 7 3.8 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(Cl)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
67285906 138305 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CNCC2 10.1021/acs.jmedchem.5b01512
CHEMBL3770966 138305 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CNCC2 10.1021/acs.jmedchem.5b01512
127029099 138233 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 406 6 1 7 4.1 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CC(=O)O 10.1021/acs.jmedchem.5b01512
CHEMBL3770278 138233 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 406 6 1 7 4.1 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CC(=O)O 10.1021/acs.jmedchem.5b01512
127028148 138239 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 350 5 2 6 3.9 CC(C)Oc1ccc(-c2nnc(NC3=CCNCC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770305 138239 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 350 5 2 6 3.9 CC(C)Oc1ccc(-c2nnc(NC3=CCNCC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
67249162 116350 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
CHEMBL3359520 116350 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 404 7 1 5 4.8 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C#N 10.1021/ml500422m
127037195 137290 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 6 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752350 137290 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 6 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(O[C@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118717782 115174 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 483 7 2 8 2.6 N[C@@H](CO)COc1c(Cl)cc(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1Cl 10.1016/j.bmcl.2014.09.003
CHEMBL3344424 115174 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 483 7 2 8 2.6 N[C@@H](CO)COc1c(Cl)cc(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1Cl 10.1016/j.bmcl.2014.09.003
53323419 57392 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ncc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651855 57392 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ncc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
17747461 117832 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 389 6 1 4 3.6 Cc1cnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
CHEMBL3402541 117832 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 389 6 1 4 3.6 Cc1cnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
71487030 138882 4 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 380 9 3 5 3.6 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3780541 138882 4 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 380 9 3 5 3.6 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3782066 138882 4 None - 0 Human 5.8 pEC50 = 5.8 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 380 9 3 5 3.6 CCCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
67167963 183503 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 496 5 1 7 4.7 O=C(O)C1CN(Cc2ccc3c(n2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4799712 183503 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 496 5 1 7 4.7 O=C(O)C1CN(Cc2ccc3c(n2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
118717766 115157 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 453 7 2 8 1.7 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344407 115157 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 453 7 2 8 1.7 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
50923276 172158 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4473311 172158 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
124173226 137370 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 451 8 3 8 3.9 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753062 137370 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 451 8 3 8 3.9 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
127036406 137537 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 424 7 2 9 3.1 Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754355 137537 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 424 7 2 9 3.1 Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
59176995 122822 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 2 5 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(CO)ccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605519 122822 0 None - 0 Human 6.8 pEC50 = 6.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 2 5 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(CO)ccc21 10.1021/acs.jmedchem.5b01078
59176999 122834 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 389 5 1 4 4.0 CCn1c([C@@H](C)NS(=O)(=O)C2CCCC2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605531 122834 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 389 5 1 4 4.0 CCn1c([C@@H](C)NS(=O)(=O)C2CCCC2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
59177130 122842 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 453 7 1 4 5.3 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(CC(C)C)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605539 122842 0 None - 0 Human 5.8 pEC50 = 5.8 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 453 7 1 4 5.3 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(CC(C)C)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
44342231 12098 3 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 408 19 4 4 4.0 CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL1183950 12098 3 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 408 19 4 4 4.0 CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL325408 12098 3 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 408 19 4 4 4.0 CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
59438732 117817 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 390 6 1 5 3.0 Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
CHEMBL3402524 117817 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 390 6 1 5 3.0 Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
59177180 122827 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 441 6 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(S(C)(=O)=O)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605524 122827 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 441 6 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(S(C)(=O)=O)cc21 10.1021/acs.jmedchem.5b01078
11452022 3594 39 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
6996 3594 39 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
CHEMBL366208 3594 39 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
127029100 138229 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 420 7 1 7 4.5 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CCC(=O)O 10.1021/acs.jmedchem.5b01512
CHEMBL3770208 138229 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 420 7 1 7 4.5 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CCC(=O)O 10.1021/acs.jmedchem.5b01512
57395372 69889 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938942 69889 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cccnc21 10.1021/acs.jmedchem.9b02092
67169024 151771 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3964923 151771 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
59177097 122824 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 406 6 2 5 2.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(N)=O)ccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605521 122824 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 406 6 2 5 2.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(N)=O)ccc21 10.1021/acs.jmedchem.5b01078
53322061 57394 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651857 57394 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)nc4s3)c(F)c2)C1 10.1021/ml100306h
1160318 76955 9 None - 0 Human 4.7 pEC50 = 4.7 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 376 3 2 4 5.4 O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)C1CCCCC1 10.1021/jm300280e
CHEMBL2070836 76955 9 None - 0 Human 4.7 pEC50 = 4.7 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 376 3 2 4 5.4 O=C(Nc1nc2ccc(-c3nc4ccccc4[nH]3)cc2s1)C1CCCCC1 10.1021/jm300280e
44600476 57398 7 None - 0 Human 8.7 pEC50 = 8.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651861 57398 7 None - 0 Human 8.7 pEC50 = 8.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 459 6 1 5 5.1 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
76318195 105754 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 440 10 3 8 2.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
CHEMBL3126601 105754 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 440 10 3 8 2.1 CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 10.1021/ml500484v
156016628 177689 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL4641924 177689 0 None - 0 Human 8.7 pEC50 = 8.7 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
50923126 173443 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 522 9 2 8 4.8 CC(C)Cc1onc(-c2nc(-c3ccc([C@H](O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00373
CHEMBL4529165 173443 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 522 9 2 8 4.8 CC(C)Cc1onc(-c2nc(-c3ccc([C@H](O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00373
118717778 115170 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 525 7 2 8 3.3 N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)s2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344420 115170 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 525 7 2 8 3.3 N[C@@H](CO)COc1cc(Cl)c(-c2nnc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)s2)cc1F 10.1016/j.bmcl.2014.09.003
67170332 180671 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)sc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4755286 180671 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 6 5.8 O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)sc2-3)C1 10.1021/acs.jmedchem.6b01099
155538268 172390 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 543 8 2 9 4.7 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4476492 172390 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 543 8 2 9 4.7 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccn5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
46174905 116286 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3358955 116286 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
127036430 137304 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 425 7 2 10 2.5 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752473 137304 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 425 7 2 10 2.5 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118877603 180427 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4752394 180427 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
10883396 3647 45 None -1 4 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2015.11.090
5283560 3647 45 None -1 4 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2015.11.090
911 3647 45 None -1 4 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2015.11.090
CHEMBL225155 3647 45 None -1 4 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2015.11.090
127036263 137369 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 409 7 2 8 3.4 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cc3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753059 137369 0 None - 0 Human 8.6 pEC50 = 8.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 409 7 2 8 3.4 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cc3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
56834955 69896 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938949 69896 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 424 3 1 5 4.3 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2cnccc21 10.1021/acs.jmedchem.9b02092
46174905 116286 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
CHEMBL3358955 116286 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 1 3 6.9 O=C(O)CC1CCn2c1cc1cc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)ccc12 10.1021/ml500422m
127035166 137424 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 434 8 2 7 3.8 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753448 137424 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 434 8 2 7 3.8 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
10883396 3647 45 None -1 4 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
5283560 3647 45 None -1 4 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
911 3647 45 None -1 4 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
CHEMBL225155 3647 45 None -1 4 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
117974352 149420 0 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2noc(-c3ccc4c(c3)CCC(N)(CO)C4)n2)ccc1OC(C)C nan
CHEMBL3945798 149420 0 None - 0 Mouse 7.7 pEC50 = 7.7 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2noc(-c3ccc4c(c3)CCC(N)(CO)C4)n2)ccc1OC(C)C nan
162656217 180965 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 561 7 2 8 4.0 CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 10.1021/acs.jmedchem.6b01099
CHEMBL4758481 180965 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 561 7 2 8 4.0 CS(=O)(=O)CCNC(=O)C(O)c1ccc2c(c1)CCc1c(-c3noc(-c4ccccc4)c3C(F)(F)F)noc1-2 10.1021/acs.jmedchem.6b01099
127036429 137389 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 1 9 2.6 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753198 137389 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 1 9 2.6 Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
16737668 57344 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 397 6 1 3 5.2 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651702 57344 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 397 6 1 3 5.2 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
67170703 182408 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 508 5 1 6 5.0 Cn1nc(-c2noc(-c3ccccc3)c2C(F)(F)F)c2c1-c1ccc(CN3CC(C(=O)O)C3)cc1CC2 10.1021/acs.jmedchem.6b01099
CHEMBL4785652 182408 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 508 5 1 6 5.0 Cn1nc(-c2noc(-c3ccccc3)c2C(F)(F)F)c2c1-c1ccc(CN3CC(C(=O)O)C3)cc1CC2 10.1021/acs.jmedchem.6b01099
44394459 123635 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 497 11 4 6 4.3 CCCCCCCCc1ccc2[nH]c([C@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F 10.1016/j.bmcl.2004.07.030
CHEMBL361915 123635 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 497 11 4 6 4.3 CCCCCCCCc1ccc2[nH]c([C@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F 10.1016/j.bmcl.2004.07.030
59177101 122831 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605528 122831 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21 10.1021/acs.jmedchem.5b01078
118717794 115182 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 491 6 1 7 2.9 O=C(O)C1CN(Cc2cc(Cl)c(-c3nc(N4CCN(C(=O)C5CCCC5)CC4)no3)cc2F)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344436 115182 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 491 6 1 7 2.9 O=C(O)C1CN(Cc2cc(Cl)c(-c3nc(N4CCN(C(=O)C5CCCC5)CC4)no3)cc2F)C1 10.1016/j.bmcl.2014.09.003
44394564 12256 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL1184660 12256 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL363076 12256 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
50923123 173966 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4541678 173966 0 None - 0 Human 7.7 pEC50 = 7.7 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
118729157 117824 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 8 1 5 3.8 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402532 117824 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 8 1 5 3.8 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
59177136 122854 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 461 6 2 7 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2cnc(NC(C)=O)s2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605551 122854 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 461 6 2 7 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2cnc(NC(C)=O)s2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
53324746 57391 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651854 57391 0 None - 0 Human 6.7 pEC50 = 6.7 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
59438798 117816 0 None - 0 Human 4.7 pEC50 = 4.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 376 6 1 5 2.7 Cn1cnnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402523 117816 0 None - 0 Human 4.7 pEC50 = 4.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 376 6 1 5 2.7 Cn1cnnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
17253281 71824 9 None - 0 Human 4.7 pEC50 = 4.7 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 4 0 3 4.9 CC(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
CHEMBL1968913 71824 9 None - 0 Human 4.7 pEC50 = 4.7 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 4 0 3 4.9 CC(C)c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
59438807 117827 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 354 7 1 5 2.9 C=CCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402535 117827 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 354 7 1 5 2.9 C=CCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 10.1016/j.bmcl.2015.03.095
16737513 57351 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 10.1021/ml100227q
CHEMBL1651709 57351 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 379 8 1 4 4.8 CCCCOc1ccc2cc(-c3ccc(CN4CC(C(=O)O)C4)cc3)oc2c1 10.1021/ml100227q
155527137 171158 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 10 2 8 5.0 CCCc1c(-c2nc(-c3ccc([C@H](O)CN4CCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4458762 171158 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 10 2 8 5.0 CCCc1c(-c2nc(-c3ccc([C@H](O)CN4CCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
25110489 72030 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 304 5 0 3 4.3 CCCc1cc(C(=O)N(C2CCCCC2)C2CCCC2)no1 10.1016/j.bmcl.2013.09.075
CHEMBL1975908 72030 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 304 5 0 3 4.3 CCCc1cc(C(=O)N(C2CCCCC2)C2CCCC2)no1 10.1016/j.bmcl.2013.09.075
59177167 122829 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605526 122829 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccnc21 10.1021/acs.jmedchem.5b01078
59177147 122825 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 420 7 1 5 3.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CN(C)C)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605522 122825 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 420 7 1 5 3.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CN(C)C)cc21 10.1021/acs.jmedchem.5b01078
59438820 117826 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 405 7 1 6 2.9 CCn1c(C)nnc1C(Cc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402534 117826 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 405 7 1 6 2.9 CCn1c(C)nnc1C(Cc1cccnc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
57402391 69887 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938940 69887 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2cnccc21 10.1021/acs.jmedchem.9b02092
67169586 182336 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c(C(F)(F)F)c1 10.1021/acs.jmedchem.6b01099
CHEMBL4784466 182336 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c(C(F)(F)F)c1 10.1021/acs.jmedchem.6b01099
59177248 122837 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 411 5 1 4 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605534 122837 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 411 5 1 4 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
118717793 115181 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 1 7 3.2 O=C(O)CCOc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344435 115181 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 1 7 3.2 O=C(O)CCOc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
59177226 122843 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 451 5 1 4 4.5 CCn1c([C@@H](C)NS(=O)(=O)c2c(F)cc(F)cc2F)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605540 122843 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 451 5 1 4 4.5 CCn1c([C@@H](C)NS(=O)(=O)c2c(F)cc(F)cc2F)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
44394327 11750 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 4.0 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL1181601 11750 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 4.0 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL183894 11750 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 383 11 4 4 4.0 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)OP(=O)(O)O)nc2c1 10.1016/j.bmcl.2004.07.030
118717774 115166 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344416 115166 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
122186562 122826 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 448 6 1 6 3.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(N3CCOCC3)ccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605523 122826 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 448 6 1 6 3.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(N3CCOCC3)ccc21 10.1021/acs.jmedchem.5b01078
16737667 57342 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 363 7 1 3 5.0 CCCCc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
CHEMBL1651700 57342 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 363 7 1 3 5.0 CCCCc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 10.1021/ml100227q
127036242 137546 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 478 7 2 8 4.7 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754430 137546 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 478 7 2 8 4.7 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118729163 117837 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 5 2.6 CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402546 117837 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 5 2.6 CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
118729163 117837 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 342 6 1 5 2.6 CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1021/acs.jmedchem.5b01078
CHEMBL3402546 117837 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 342 6 1 5 2.6 CCc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1021/acs.jmedchem.5b01078
127028464 138249 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 0 6 4.0 CC(C)Oc1ccc(-c2nnc(-c3ccnn3C)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770390 138249 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 0 6 4.0 CC(C)Oc1ccc(-c2nnc(-c3ccnn3C)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127028465 138265 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 365 4 0 6 5.4 Cc1nc(C)c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)s1 10.1021/acs.jmedchem.5b01512
CHEMBL3770587 138265 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 365 4 0 6 5.4 Cc1nc(C)c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)s1 10.1021/acs.jmedchem.5b01512
127027154 138318 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 330 4 0 4 5.3 CC(C)Oc1ccc(-c2nnc(-c3ccccc3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771092 138318 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 330 4 0 4 5.3 CC(C)Oc1ccc(-c2nnc(-c3ccccc3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127028151 138322 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 459 7 1 7 5.2 CC(C)Oc1ccc(-c2nnc(N3CCOc4c(CCC(=O)O)cccc43)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771149 138322 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 459 7 1 7 5.2 CC(C)Oc1ccc(-c2nnc(N3CCOc4c(CCC(=O)O)cccc43)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127028147 138166 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 410 7 2 7 3.6 CC(C)Oc1ccc(-c2nnc(NC3CCN(CC(=O)O)CC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769494 138166 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 410 7 2 7 3.6 CC(C)Oc1ccc(-c2nnc(NC3CCN(CC(=O)O)CC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127029101 138189 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 406 7 1 7 4.3 Cc1c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cnn1CCC(=O)O 10.1021/acs.jmedchem.5b01512
CHEMBL3769703 138189 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 406 7 1 7 4.3 Cc1c(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)cnn1CCC(=O)O 10.1021/acs.jmedchem.5b01512
127029098 138288 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 378 6 1 7 3.6 CC(C)Oc1ccc(-c2nnc(-c3cnn(CC(=O)O)c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770772 138288 0 None - 0 Human 4.6 pEC50 = 4.6 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 378 6 1 7 3.6 CC(C)Oc1ccc(-c2nnc(-c3cnn(CC(=O)O)c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
16737507 57359 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 10.1021/ml100227q
CHEMBL1651716 57359 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)cc2F)C1 10.1021/ml100227q
162660222 181227 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 553 6 2 7 5.6 O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4761456 181227 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 553 6 2 7 5.6 O=C(O)[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
59177084 122846 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccncc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605543 122846 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccncc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
44600642 57400 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 487 6 1 5 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651863 57400 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 487 6 1 5 5.9 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
44342219 11409 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL115344 11409 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL1180152 11409 0 None - 0 Human 6.6 pEC50 = 6.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
118729155 117822 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 8 1 5 3.9 CCCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402529 117822 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 8 1 5 3.9 CCCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
155534250 171904 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@H]4CCC[C@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4469843 171904 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@H]4CCC[C@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
59177239 122839 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 431 5 1 4 4.8 CCn1c([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605536 122839 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 431 5 1 4 4.8 CCn1c([C@@H](C)NS(=O)(=O)c2cccc(Cl)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
117974347 142732 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 365 4 2 6 2.9 COc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
CHEMBL3892404 142732 0 None - 0 Mouse 7.6 pEC50 = 7.6 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 365 4 2 6 2.9 COc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
118717792 115180 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 480 7 1 7 3.5 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCC(=O)O)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344434 115180 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 480 7 1 7 3.5 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCC(=O)O)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
44398172 11777 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 315 10 3 3 4.0 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1181739 11777 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 315 10 3 3 4.0 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL190529 11777 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 315 10 3 3 4.0 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
24985569 122859 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 386 6 1 8 1.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(OC)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605556 122859 0 None - 0 Human 7.6 pEC50 = 7.6 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 386 6 1 8 1.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(OC)cc21 10.1021/acs.jmedchem.5b01078
57395371 69888 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938941 69888 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccncc21 10.1021/acs.jmedchem.9b02092
16736754 57363 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 395 7 1 4 4.5 O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651720 57363 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 395 7 1 4 4.5 O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
57395374 69892 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938945 69892 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2cnc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
44394539 11749 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 303 9 3 3 3.8 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL1181600 11749 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 303 9 3 3 3.8 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)O)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL183888 11749 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 303 9 3 3 3.8 CCCCCCCCc1ccc2[nH]c([C@@H](N)[C@@H](C)O)nc2c1 10.1016/j.bmcl.2004.07.030
59177061 122857 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 423 5 1 6 3.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605554 122857 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 423 5 1 6 3.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
118717764 115155 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 481 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](N)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344405 115155 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 481 7 2 8 2.3 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OC[C@@H](N)CO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
117974388 143376 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 447 5 2 6 4.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
CHEMBL3897804 143376 0 None - 0 Mouse 8.5 pEC50 = 8.5 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 447 5 2 6 4.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
49848427 138296 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 452 7 1 9 3.2 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
CHEMBL3770858 138296 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 452 7 1 9 3.2 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
46847147 139325 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 431 7 1 8 3.5 CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
CHEMBL3792704 139325 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgamma binding incubated for 45 mins by liquid scintillation counting method
ChEMBL 431 7 1 8 3.5 CCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)noc1-c1ccccn1 10.1016/j.bmcl.2016.03.105
50925337 170450 10 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4448752 170450 10 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
127036241 137307 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 445 6 2 7 4.0 Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752499 137307 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 445 6 2 7 4.0 Cc1cc(-c2nc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118877433 177338 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL4637401 177338 0 None - 0 Human 8.5 pEC50 = 8.5 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
50925336 171097 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4457691 171097 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
155543631 173190 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4522539 173190 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
49848430 138176 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769584 138176 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
11452022 3594 39 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
6996 3594 39 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
CHEMBL366208 3594 39 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/acs.jmedchem.5b01512
50923120 173136 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4521128 173136 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
59177057 122845 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2cccnc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605542 122845 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2cccnc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
127037055 137396 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 6 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753255 137396 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 6 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CCC(=O)NC4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
24863828 117833 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 4 3.5 CCc1onc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402542 117833 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 4 3.5 CCc1onc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
162673462 183189 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 509 5 1 6 5.7 O=C(O)C1CN(Cc2ccc3c(c2)CCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4795734 183189 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 509 5 1 6 5.7 O=C(O)C1CN(Cc2ccc3c(c2)CCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
44125170 65953 5 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
CHEMBL1836169 65953 5 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
57400586 69894 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938947 69894 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
67171391 151713 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3964377 151713 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 10.1021/acs.jmedchem.6b01099
127036459 137571 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 519 7 1 8 4.8 CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2nnc(-c3cc(C)nc(NC(C)C)c3)s2)cc1F 10.1016/j.bmcl.2015.11.090
CHEMBL3754698 137571 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 519 7 1 8 4.8 CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2nnc(-c3cc(C)nc(NC(C)C)c3)s2)cc1F 10.1016/j.bmcl.2015.11.090
24863649 117835 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 341 6 2 3 3.2 CCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402544 117835 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 341 6 2 3 3.2 CCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
59177064 122832 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605529 122832 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 364 5 1 5 3.1 CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ncccc21 10.1021/acs.jmedchem.5b01078
4225876 76956 2 None - 0 Human 4.5 pEC50 = 4.5 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 546 3 1 4 4.0 CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c21 10.1021/jm300280e
CHEMBL2070837 76956 2 None - 0 Human 4.5 pEC50 = 4.5 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 546 3 1 4 4.0 CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)c21 10.1021/jm300280e
59438762 117820 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 444 6 1 5 3.8 Cn1c(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F 10.1016/j.bmcl.2015.03.095
CHEMBL3402527 117820 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 444 6 1 5 3.8 Cn1c(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)nnc1C(F)(F)F 10.1016/j.bmcl.2015.03.095
124171453 137324 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 473 6 0 7 4.5 Cc1nc(CC(C)C)cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)N(C)C4)cc3Cl)no2)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752660 137324 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 473 6 0 7 4.5 Cc1nc(CC(C)C)cc(-c2nc(-c3cc(F)c(O[C@@H]4CCC(=O)N(C)C4)cc3Cl)no2)n1 10.1016/j.bmcl.2015.11.090
46929213 137388 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 471 8 2 7 4.8 CC(C)Oc1ccc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3753190 137388 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 471 8 2 7 4.8 CC(C)Oc1ccc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
44342246 11410 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 396 18 4 5 3.2 CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL115505 11410 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 396 18 4 5 3.2 CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL1180159 11410 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 396 18 4 5 3.2 CCCCCCCCCCCCCCONC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
59438788 117819 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 432 9 1 5 4.1 CCCCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
CHEMBL3402526 117819 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 432 9 1 5 4.1 CCCCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
25110501 72173 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 332 4 0 4 3.8 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 10.1016/j.bmcl.2013.09.075
CHEMBL1979798 72173 0 None - 0 Human 5.5 pEC50 = 5.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 332 4 0 4 3.8 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCOCC1 10.1016/j.bmcl.2013.09.075
68192004 183411 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4798447 183411 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 511 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
53323421 57397 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 461 6 1 5 5.3 CC(C)(c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
CHEMBL1651860 57397 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 461 6 1 5 5.3 CC(C)(c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
44600643 57401 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 501 6 1 5 6.3 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651864 57401 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 501 6 1 5 6.3 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CCCCC5)nc4s3)c(F)c2)C1 10.1021/ml100306h
127036062 137391 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 7 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753212 137391 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 475 7 2 7 4.8 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CCC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
44394521 11759 1 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL1181640 11759 1 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
CHEMBL186815 11759 1 None - 0 Human 6.5 pEC50 = 6.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 289 9 3 3 3.5 CCCCCCCCc1ccc2[nH]c([C@H](N)CO)nc2c1 10.1016/j.bmcl.2004.07.030
25110498 72923 0 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 330 4 0 3 4.9 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
CHEMBL2004782 72923 0 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 330 4 0 3 4.9 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
71487024 138881 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 366 8 3 5 3.2 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL3781508 138881 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 366 8 3 5 3.2 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL3782063 138881 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 366 8 3 5 3.2 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
17253208 1298 51 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 316 4 0 3 4.7 O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 10.1016/j.bmcl.2013.09.075
9494 1298 51 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 316 4 0 3 4.7 O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 10.1016/j.bmcl.2013.09.075
CHEMBL1970071 1298 51 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 316 4 0 3 4.7 O=C(N(C1CCCCC1)C1CCCCC1)c1noc(c1)C1CC1 10.1016/j.bmcl.2013.09.075
50925335 171554 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4464631 171554 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
59177290 122855 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 355 5 1 6 2.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605552 122855 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 355 5 1 6 2.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnccc21 10.1021/acs.jmedchem.5b01078
118729154 117818 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 404 7 1 5 3.3 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
CHEMBL3402525 117818 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 404 7 1 5 3.3 CCc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C 10.1016/j.bmcl.2015.03.095
25110511 72046 0 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 316 4 0 3 4.7 O=C(c1cc(C2CC2)on1)N(C1CCCCCC1)C1CCCC1 10.1016/j.bmcl.2013.09.075
CHEMBL1976353 72046 0 None - 0 Human 4.5 pEC50 = 4.5 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 316 4 0 3 4.7 O=C(c1cc(C2CC2)on1)N(C1CCCCCC1)C1CCCC1 10.1016/j.bmcl.2013.09.075
53319458 57395 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 447 6 1 5 5.2 C[C@@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
CHEMBL1651858 57395 0 None - 0 Human 7.5 pEC50 = 7.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 447 6 1 5 5.2 C[C@@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
16737505 57347 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 411 7 1 3 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(CCc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651705 57347 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 411 7 1 3 5.4 O=C(O)C1CN(Cc2ccc(-c3cc4cc(CCc5ccccc5)ccc4o3)cc2)C1 10.1021/ml100227q
117974063 147736 0 None - 0 Mouse 6.5 pEC50 = 6.5 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 421 6 1 6 4.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(N(C)C)CC4)o2)ccc1OC(C)C nan
CHEMBL3932290 147736 0 None - 0 Mouse 6.5 pEC50 = 6.5 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 421 6 1 6 4.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(N(C)C)CC4)o2)ccc1OC(C)C nan
118717768 115159 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 358 5 0 6 2.8 CCC(C)(C)C(=O)N1CCN(c2noc(-c3ccccc3OC)n2)CC1 10.1016/j.bmcl.2014.09.003
CHEMBL3344409 115159 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 358 5 0 6 2.8 CCC(C)(C)C(=O)N1CCN(c2noc(-c3ccccc3OC)n2)CC1 10.1016/j.bmcl.2014.09.003
127036405 137259 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752005 137259 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
44394497 66692 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 497 11 4 6 4.3 CCCCCCCCc1ccc2[nH]c([C@@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F 10.1016/j.bmcl.2004.07.030
CHEMBL185491 66692 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonistIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand; partial agonist
ChEMBL 497 11 4 6 4.3 CCCCCCCCc1ccc2[nH]c([C@@H](N)COP(=O)(O)O)nc2c1.COC(=O)C(F)(F)F 10.1016/j.bmcl.2004.07.030
155550350 175120 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 462 11 3 8 4.1 CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4569675 175120 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 462 11 3 8 4.1 CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
53323420 57396 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 447 6 1 5 5.2 C[C@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
CHEMBL1651859 57396 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 447 6 1 5 5.2 C[C@H](c1ccccc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2n1 10.1021/ml100306h
44600645 57402 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 458 6 1 4 5.7 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)cc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651865 57402 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 458 6 1 4 5.7 O=C(O)C1CN(Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)cc4s3)c(F)c2)C1 10.1021/ml100306h
67168502 179493 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 508 5 1 6 5.0 Cn1nc2c(c1-c1noc(-c3ccccc3)c1C(F)(F)F)CCc1cc(CN3CC(C(=O)O)C3)ccc1-2 10.1021/acs.jmedchem.6b01099
CHEMBL4741076 179493 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 508 5 1 6 5.0 Cn1nc2c(c1-c1noc(-c3ccccc3)c1C(F)(F)F)CCc1cc(CN3CC(C(=O)O)C3)ccc1-2 10.1021/acs.jmedchem.6b01099
127029100 138229 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 420 7 1 7 4.5 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CCC(=O)O 10.1021/acs.jmedchem.5b01512
CHEMBL3770208 138229 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 420 7 1 7 4.5 Cc1nn(-c2nnc(-c3ccc(OC(C)C)c(Cl)c3)s2)c(C)c1CCC(=O)O 10.1021/acs.jmedchem.5b01512
44342244 64874 3 None - 0 Human 6.4 pEC50 = 6.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL182164 64874 3 None - 0 Human 6.4 pEC50 = 6.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL423691 64874 3 None - 0 Human 6.4 pEC50 = 6.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 380 17 4 4 3.2 CCCCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
67284085 138319 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771116 138319 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
53326037 57393 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651856 57393 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cnc(Cc5ccccc5)cc4s3)c(F)c2)C1 10.1021/ml100306h
127028149 138313 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 464 6 1 7 4.4 CC(C)Oc1ccc(-c2nnc(N3CCC(N4CCCC(C(=O)O)C4)CC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771026 138313 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 464 6 1 7 4.4 CC(C)Oc1ccc(-c2nnc(N3CCC(N4CCCC(C(=O)O)C4)CC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
162671724 182961 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 567 7 2 7 6.0 O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4792990 182961 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 567 7 2 7 6.0 O=C(O)C[C@H]1CCCN(CC(O)c2ccc3c(c2)CCc2c(-c4noc(-c5ccccc5)c4C(F)(F)F)noc2-3)C1 10.1021/acs.jmedchem.6b01099
127029506 137483 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 435 8 3 8 3.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753931 137483 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 435 8 3 8 3.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
24985745 122861 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 396 6 1 7 2.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C3CC3)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605558 122861 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 396 6 1 7 2.6 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C3CC3)cc21 10.1021/acs.jmedchem.5b01078
11682677 11780 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1181748 11780 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL190865 11780 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
127036194 137358 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 503 7 1 8 4.3 CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2noc(-c3cc(C)nc(NC(C)C)c3)n2)cc1F 10.1016/j.bmcl.2015.11.090
CHEMBL3752984 137358 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 503 7 1 8 4.3 CC(=O)N1CCOC[C@@H]1COc1cc(Cl)c(-c2noc(-c3cc(C)nc(NC(C)C)c3)n2)cc1F 10.1016/j.bmcl.2015.11.090
124171498 137497 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 455 8 2 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3754035 137497 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 455 8 2 7 4.3 CC(C)Oc1ccc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
118717773 115165 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344415 115165 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.8 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
66955472 172292 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4474984 172292 0 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
2924 1638 43 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2020.127141
44398069 1638 43 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2020.127141
9908268 1638 43 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2020.127141
CHEMBL114606 1638 43 None - 0 Human 8.4 pEC50 = 8.4 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2020.127141
10883396 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
5283560 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
911 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
CHEMBL225155 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
10883396 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
5283560 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
911 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
CHEMBL225155 3647 45 None -1 4 Human 8.4 pEC50 = 8.4 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand. (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
53234381 179725 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 443 6 1 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C#N 10.1021/acs.jmedchem.6b01099
CHEMBL4744056 179725 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 443 6 1 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C#N 10.1021/acs.jmedchem.6b01099
11675907 11774 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 409 12 4 4 4.3 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1181694 11774 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 409 12 4 4 4.3 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL188881 11774 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 409 12 4 4 4.3 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
118877603 180427 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4752394 180427 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysisAgonist activity at human recombinant C-terminal GFP-fused S1P1 expressed in CHO cells assessed as induction of receptor internalization incubated for 50 mins by fluorescence based confocal laser scanning microscopic analysis
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
58329611 116349 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359519 116349 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
59177131 122853 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)c(C)n2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605550 122853 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)c(C)n2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
57391921 69885 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938938 69885 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1nc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
53318124 57387 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651850 57387 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 432 6 1 4 5.2 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ccc4s3)c(F)c2)C1 10.1021/ml100306h
118729162 117836 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 5 2.6 CCc1nnc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402545 117836 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 342 6 1 5 2.6 CCc1nnc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1CC 10.1016/j.bmcl.2015.03.095
57395370 69886 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938939 69886 0 None - 0 Human 5.4 pEC50 = 5.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ncccc21 10.1021/acs.jmedchem.9b02092
57393649 69890 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938943 69890 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)n2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
124171442 137447 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 422 6 2 8 3.3 Cc1cc(-c2nc(-c3ccc(O[C@H]4CCC(=O)NC4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753609 137447 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 422 6 2 8 3.3 Cc1cc(-c2nc(-c3ccc(O[C@H]4CCC(=O)NC4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
118717769 115161 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344411 115161 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)C4CCCC4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
59177203 122848 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 7 1 6 4.0 CCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1 10.1021/acs.jmedchem.5b01078
CHEMBL3605545 122848 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 7 1 6 4.0 CCCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c(C)n1 10.1021/acs.jmedchem.5b01078
16737509 57358 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 390 5 1 4 5.1 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)nc2)C1 10.1021/ml100227q
CHEMBL1651715 57358 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 390 5 1 4 5.1 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)nc2)C1 10.1021/ml100227q
53326036 57389 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ncc4s3)c(F)c2)C1 10.1021/ml100306h
CHEMBL1651852 57389 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 433 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccc5)ncc4s3)c(F)c2)C1 10.1021/ml100306h
59177194 122850 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 429 6 1 6 3.6 CCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C 10.1021/acs.jmedchem.5b01078
CHEMBL3605547 122850 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 429 6 1 6 3.6 CCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C 10.1021/acs.jmedchem.5b01078
25110210 103686 0 None - 0 Human 4.4 pEC50 = 4.4 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 5 0 3 4.4 O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.09.075
CHEMBL3087666 103686 0 None - 0 Human 4.4 pEC50 = 4.4 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 5 0 3 4.4 O=C(c1cc(C2CC2)on1)N(Cc1ccccc1)c1ccccc1 10.1016/j.bmcl.2013.09.075
118717780 115172 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 2 7 3.1 N[C@@H](CO)COc1cc(Cl)c(-c2noc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344422 115172 0 None - 0 Human 7.4 pEC50 = 7.4 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 466 7 2 7 3.1 N[C@@H](CO)COc1cc(Cl)c(-c2noc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
57400587 69895 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938948 69895 0 None - 0 Human 6.4 pEC50 = 6.4 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
16735046 57362 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 423 7 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651719 57362 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 423 7 1 4 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
118717767 115158 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 469 8 2 8 2.3 CCC(C)(C)C(=O)N1CCN(c2noc(-c3cc(F)c(OCC(N)CO)cc3Cl)n2)CC1 10.1016/j.bmcl.2014.09.003
CHEMBL3344408 115158 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 469 8 2 8 2.3 CCC(C)(C)C(=O)N1CCN(c2noc(-c3cc(F)c(OCC(N)CO)cc3Cl)n2)CC1 10.1016/j.bmcl.2014.09.003
59438827 117821 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 404 7 1 5 3.5 CCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402528 117821 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 404 7 1 5 3.5 CCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
16737670 57345 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 389 5 1 3 5.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651703 57345 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 389 5 1 3 5.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
156013851 177193 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL4635110 177193 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
25110499 71695 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 344 4 0 3 5.3 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 10.1016/j.bmcl.2013.09.075
CHEMBL1965004 71695 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 344 4 0 3 5.3 CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1 10.1016/j.bmcl.2013.09.075
16737319 57361 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 407 5 1 3 5.8 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651718 57361 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 407 5 1 3 5.8 O=C(O)C1CN(Cc2ccc(-c3cc4cc(C5CCCCC5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
124171494 137401 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 436 8 2 8 3.4 Cc1nc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)ccc1OC(C)C 10.1016/j.bmcl.2015.11.090
CHEMBL3753275 137401 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 436 8 2 8 3.4 Cc1nc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)ccc1OC(C)C 10.1016/j.bmcl.2015.11.090
118729158 117825 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 422 7 1 5 3.7 CCn1c(C)nnc1C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402533 117825 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 422 7 1 5 3.7 CCn1c(C)nnc1C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
49868651 171146 1 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at C-terminal GFP-fused human S1P1 receptor expressed in CHO cells assessed as receptor internalization after 50 minsAgonist activity at C-terminal GFP-fused human S1P1 receptor expressed in CHO cells assessed as receptor internalization after 50 mins
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4458575 171146 1 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at C-terminal GFP-fused human S1P1 receptor expressed in CHO cells assessed as receptor internalization after 50 minsAgonist activity at C-terminal GFP-fused human S1P1 receptor expressed in CHO cells assessed as receptor internalization after 50 mins
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
127031187 138880 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL3781008 138880 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
CHEMBL3782062 138880 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at S1P1 (unknown origin) by HTRF assayAgonist activity at S1P1 (unknown origin) by HTRF assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmcl.2020.127141
59177179 122819 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 431 5 1 4 4.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605516 122819 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 431 5 1 4 4.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
59177207 122823 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 2 5 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CO)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605520 122823 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 2 5 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(CO)cc21 10.1021/acs.jmedchem.5b01078
44125170 65953 5 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
CHEMBL1836169 65953 5 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 446 7 1 7 4.2 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CCC(=O)O)C2 10.1021/acs.jmedchem.5b01512
49848429 138164 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 461 8 1 8 4.1 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769451 138164 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 461 8 1 8 4.1 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
49848560 138254 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 438 7 1 9 2.9 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
CHEMBL3770458 138254 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 438 7 1 9 2.9 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
86299710 118874 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 482 12 3 8 3.1 CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
CHEMBL3422425 118874 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assayAgonist activity at human recombinant S1P1 receptor expressed in CHO cells incubated for 30 mins prior to 35SGTP-gammaS addition measured after 1 hr by 35SGTP-gammaS binding assay
ChEMBL 482 12 3 8 3.1 CCc1cc(-c2noc(-c3ccnc(CCC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO 10.1021/ml500484v
118877584 182451 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4786296 182451 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
118717776 115168 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 504 8 2 9 2.1 CCc1cccnc1C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1 10.1016/j.bmcl.2014.09.003
CHEMBL3344418 115168 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 504 8 2 9 2.1 CCc1cccnc1C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1 10.1016/j.bmcl.2014.09.003
67172256 181172 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)oc2-3)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4760972 181172 0 None - 0 Human 8.3 pEC50 = 8.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2nc(-c4onc(-c5ccccc5)c4C(F)(F)F)oc2-3)C1 10.1021/acs.jmedchem.6b01099
124171447 137429 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 425 6 1 7 3.5 Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753479 137429 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 425 6 1 7 3.5 Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 10.1016/j.bmcl.2015.11.090
59177019 122817 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 363 5 1 4 3.7 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605514 122817 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 363 5 1 4 3.7 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 10.1021/acs.jmedchem.5b01078
67284479 138327 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771238 138327 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 447 7 1 8 3.7 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCN(CCC(=O)O)C4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
49848560 138254 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 438 7 1 9 2.9 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
CHEMBL3770458 138254 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 438 7 1 9 2.9 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
49848559 138215 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 366 4 1 8 2.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
CHEMBL3770025 138215 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 366 4 1 8 2.7 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
127028461 138256 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 321 4 0 7 3.2 CC(C)Oc1ccc(-c2nnc(-n3cncn3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770492 138256 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 321 4 0 7 3.2 CC(C)Oc1ccc(-c2nnc(-n3cncn3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
2920889 198720 11 None - 0 Human 4.3 pEC50 = 4.3 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 443 5 2 6 4.4 Cc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1 10.1021/jm300280e
CHEMBL582739 198720 11 None - 0 Human 4.3 pEC50 = 4.3 Binding
Induction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assayInduction of beta-arrestin2 recruitment to human S1PR1 expressed in CHOK1 cells after 2 hrs by beta-galactosidase assay
ChEMBL 443 5 2 6 4.4 Cc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccccc2)N3)cc1 10.1021/jm300280e
16738333 57348 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 384 5 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(-c5cccnc5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651706 57348 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 384 5 1 4 4.7 O=C(O)C1CN(Cc2ccc(-c3cc4cc(-c5cccnc5)ccc4o3)cc2)C1 10.1021/ml100227q
162657458 181036 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 535 4 2 7 4.2 O=C1NC(=O)C2(CN(Cc3ccc4c(c3)CCc3c(-c5noc(-c6ccccc6)c5C(F)(F)F)noc3-4)C2)N1 10.1021/acs.jmedchem.6b01099
CHEMBL4759408 181036 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 535 4 2 7 4.2 O=C1NC(=O)C2(CN(Cc3ccc4c(c3)CCc3c(-c5noc(-c6ccccc6)c5C(F)(F)F)noc3-4)C2)N1 10.1021/acs.jmedchem.6b01099
44398074 12884 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 345 11 4 4 3.1 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1188885 12884 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 345 11 4 4 3.1 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL537632 12884 0 None - 0 Human 5.3 pEC50 = 5.3 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 345 11 4 4 3.1 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)CO)n2)cc1 10.1016/j.bmcl.2005.05.097
118717779 115171 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@@H](CO)COc1cc(Cl)c(-c2noc(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344421 115171 0 None - 0 Human 7.3 pEC50 = 7.3 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 467 7 2 8 2.1 N[C@@H](CO)COc1cc(Cl)c(-c2noc(N3CCN(C(=O)C4CCCC4)CC3)n2)cc1F 10.1016/j.bmcl.2014.09.003
127037053 137318 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 491 7 2 8 4.1 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752624 137318 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 491 7 2 8 4.1 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4CNC(=O)CO4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
44342339 11404 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL114031 11404 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL1180115 11404 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 344 10 4 4 2.2 CCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
127036240 137581 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 461 6 2 7 4.5 Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754799 137581 0 None - 0 Human 6.3 pEC50 = 6.3 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 461 6 2 7 4.5 Cc1cc(-c2nnc(-c3cc(F)c(O[C@@H]4CNC(=O)C4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
59177155 122840 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 422 5 1 5 4.0 CCn1c([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605537 122840 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 422 5 1 5 4.0 CCn1c([C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
16737679 57360 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
CHEMBL1651717 57360 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 415 6 1 3 5.3 O=C(O)C1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ccc4o3)c(F)c2)C1 10.1021/ml100227q
44342175 85518 0 None 10 2 Human 7.2 pEC50 = 7.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL227371 85518 0 None 10 2 Human 7.2 pEC50 = 7.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL422074 85518 0 None 10 2 Human 7.2 pEC50 = 7.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
59177166 122849 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 6 1 6 3.3 CCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1 10.1021/acs.jmedchem.5b01078
CHEMBL3605546 122849 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 6 1 6 3.3 CCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1 10.1021/acs.jmedchem.5b01078
124173029 137530 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 458 8 2 8 3.8 CCOc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3754277 137530 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 458 8 2 8 3.8 CCOc1ncc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc1Cl 10.1016/j.bmcl.2015.11.090
44342221 12091 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 352 15 4 4 2.5 CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL1183918 12091 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 352 15 4 4 2.5 CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
CHEMBL324358 12091 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 352 15 4 4 2.5 CCCCCCCCCCCCNC(=O)[C@@H](N)COP(=O)(O)O 10.1016/s0960-894x(03)00812-6
127036243 137299 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 462 7 2 8 4.2 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752436 137299 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 462 7 2 8 4.2 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H]4OCC[C@@H]4O)cc3Cl)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
59177244 122858 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 395 6 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605555 122858 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 395 6 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21 10.1021/acs.jmedchem.5b01078
44623998 1594 38 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
49848561 138317 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 452 8 1 9 3.3 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
CHEMBL3771073 138317 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 452 8 1 9 3.3 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1C#N 10.1021/acs.jmedchem.5b01512
49848557 1097 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
9492 1097 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
CHEMBL3769933 1097 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 461 7 1 8 4.0 OC(=O)CCN1CCc2c(C1)c(C)n(n2)c1nnc(s1)c1ccc(c(c1)Cl)OC(C)C 10.1021/acs.jmedchem.5b01512
78321974 140312 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assayAgonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.6b01433
CHEMBL3806205 140312 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assayAgonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.6b01433
44398170 11770 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 411 12 4 4 4.2 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1181688 11770 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 411 12 4 4 4.2 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL188826 11770 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 411 12 4 4 4.2 CCCCCCCCc1ccc(-c2c[nH]c([C@@H](N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
118717772 115164 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 475 7 2 8 2.2 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4ccccc4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344414 115164 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 475 7 2 8 2.2 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4ccccc4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
67171285 183299 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 481 5 1 6 5.1 O=C(O)C1CN(Cc2ccc3c(c2)Cc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL4797042 183299 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting methodAgonist activity at human S1P1 expressed in CHO cell membranes assessed as stimulation of [35S]-GTPgamma-S binding measured after 45 mins by liquid scintillation counting method
ChEMBL 481 5 1 6 5.1 O=C(O)C1CN(Cc2ccc3c(c2)Cc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
50923275 175921 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4587424 175921 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
57402392 69893 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938946 69893 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 423 3 1 4 4.9 Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
162659104 181313 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assayAgonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.6b01433
CHEMBL4762613 181313 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assayAgonist activity at human S1P1 in HLE cell membranes incubated for 45 mins by scintillation counting based [35S]GTP-gamma-S binding assay
ChEMBL 409 9 3 3 4.8 CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.6b01433
50925181 169909 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 488 9 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4440968 169909 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 488 9 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
59438740 117828 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 356 7 1 5 3.1 CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402536 117828 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 356 7 1 5 3.1 CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC 10.1016/j.bmcl.2015.03.095
124171513 137359 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 442 8 2 8 3.3 CCOc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
CHEMBL3752990 137359 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 442 8 2 8 3.3 CCOc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 10.1016/j.bmcl.2015.11.090
16737345 57350 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 390 5 1 4 4.6 O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
CHEMBL1651708 57350 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 390 5 1 4 4.6 O=C(O)C1CN(Cc2ccc(-c3cc4cc(N5CCCCC5)ccc4o3)cc2)C1 10.1021/ml100227q
127036425 137444 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753596 137444 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 423 7 1 8 3.5 Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 10.1016/j.bmcl.2015.11.090
49848426 138263 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
CHEMBL3770578 138263 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 380 4 1 8 3.0 Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCNC2 10.1021/acs.jmedchem.5b01512
127025658 138238 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 0 6 4.0 CC(C)Oc1ccc(-c2nnc(-c3cncn3C)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770302 138238 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 334 4 0 6 4.0 CC(C)Oc1ccc(-c2nnc(-c3cncn3C)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
49848428 138192 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769716 138192 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
49848428 138192 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769716 138192 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
136053659 138196 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 320 4 1 5 4.0 CC(C)Oc1ccc(-c2nnc(-c3cn[nH]c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3769742 138196 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 320 4 1 5 4.0 CC(C)Oc1ccc(-c2nnc(-c3cn[nH]c3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
127028146 138302 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 338 4 1 6 3.1 CC(C)Oc1ccc(-c2nnc(N3CCNCC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3770931 138302 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Agonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assayAgonist activity at human S1P1 receptor expressed in RH7777 cells by [35S]GTP-gammaS accumulation assay
ChEMBL 338 4 1 6 3.1 CC(C)Oc1ccc(-c2nnc(N3CCNCC3)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
59438736 117823 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 7 1 5 4.1 Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C(C)C 10.1016/j.bmcl.2015.03.095
CHEMBL3402530 117823 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 418 7 1 5 4.1 Cc1nnc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C(C)C 10.1016/j.bmcl.2015.03.095
155537818 172337 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 390 7 2 7 4.0 CCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4475594 172337 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 390 7 2 7 4.0 CCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
25110485 72761 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 332 5 0 3 5.0 CC(C)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
CHEMBL1999116 72761 0 None - 0 Human 5.2 pEC50 = 5.2 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 332 5 0 3 5.0 CC(C)Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
59177040 122633 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cnc(C)n2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3603858 122633 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 6 3.2 CCn1c([C@@H](C)NS(=O)(=O)c2cnc(C)n2C)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
16737316 57356 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 409 9 1 5 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3OC)cc2c1 10.1021/ml100227q
CHEMBL1651713 57356 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopyInduction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy
ChEMBL 409 9 1 5 4.8 CCCCOc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3OC)cc2c1 10.1021/ml100227q
25110488 71983 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 352 4 0 3 5.4 O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
CHEMBL1973788 71983 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 352 4 0 3 5.4 O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
124171493 137576 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 436 8 2 8 3.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(OC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3754731 137576 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 436 8 2 8 3.4 Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(OC(C)C)n1 10.1016/j.bmcl.2015.11.090
118729159 117830 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 328 5 1 5 2.3 CCn1c(C)nnc1C(C)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402538 117830 0 None - 0 Human 6.2 pEC50 = 6.2 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 328 5 1 5 2.3 CCn1c(C)nnc1C(C)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
127031187 138880 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3781008 138880 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
CHEMBL3782062 138880 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO cells incubated for 2 hrs by HTRF-IP1 assay
ChEMBL 446 10 4 6 3.3 CCc1nc(-c2ccc(-c3ccc(CCC(N)(CO)COP(=O)(O)O)cc3)cc2)co1 10.1016/j.bmc.2016.03.059
59177065 122836 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 4 4.3 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605533 122836 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 415 5 1 4 4.3 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
24985395 122860 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 424 5 1 7 2.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605557 122860 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 424 5 1 7 2.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
44398058 11764 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1181660 11764 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL187712 11764 0 None - 0 Human 8.2 pEC50 = 8.2 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 395 12 4 4 4.1 CCCCCCCCc1ccc(-c2c[nH]c([C@H](N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
107970 1637 83 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2015.11.090
2407 1637 83 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2015.11.090
4167 1637 83 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2015.11.090
CHEMBL314854 1637 83 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2015.11.090
DB08868 1637 83 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1016/j.bmcl.2015.11.090
127036426 137476 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 2 9 2.8 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)nc3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753881 137476 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 410 7 2 9 2.8 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)nc3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
155528529 171349 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4461520 171349 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
155542034 173101 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 508 8 2 8 4.4 CC(C)Cc1onc(-c2nc(-c3ccc([C@H](O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00373
CHEMBL4520384 173101 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 508 8 2 8 4.4 CC(C)Cc1onc(-c2nc(-c3ccc([C@H](O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)c1C(F)(F)F 10.1021/acs.jmedchem.6b00373
50923427 174120 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 500 7 2 8 4.1 O=C(O)C1CN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4545842 174120 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 500 7 2 8 4.1 O=C(O)C1CN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
127036404 137403 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 424 7 2 9 3.1 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3753282 137403 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 424 7 2 9 3.1 Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
44398076 12898 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 13 5 5 3.2 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1188968 12898 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 13 5 5 3.2 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL537849 12898 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 13 5 5 3.2 CCCCCCCCc1ccc(-c2c[nH]c(C(N)(CO)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2005.05.097
57505797 123973 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO-K1 cells assessed as beta-arrestin recruitment after 60 mins by chemiluminescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO-K1 cells assessed as beta-arrestin recruitment after 60 mins by chemiluminescence assay
ChEMBL 448 7 2 8 3.1 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C[C@@H](O)CO)C2 10.1021/acs.jmedchem.5b01102
CHEMBL3628839 123973 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at S1P1 receptor (unknown origin) expressed in CHO-K1 cells assessed as beta-arrestin recruitment after 60 mins by chemiluminescence assayAgonist activity at S1P1 receptor (unknown origin) expressed in CHO-K1 cells assessed as beta-arrestin recruitment after 60 mins by chemiluminescence assay
ChEMBL 448 7 2 8 3.1 Cc1c(-c2noc(-c3ccc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(C[C@@H](O)CO)C2 10.1021/acs.jmedchem.5b01102
57391920 69884 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
CHEMBL1938937 69884 0 None - 0 Human 7.2 pEC50 = 7.2 Binding
Agonist activity at S1P1 (unknown origin)Agonist activity at S1P1 (unknown origin)
ChEMBL 422 3 1 3 5.5 Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21 10.1021/acs.jmedchem.9b02092
24863831 117834 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 358 6 1 4 4.0 CCc1snc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
CHEMBL3402543 117834 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 358 6 1 4 4.0 CCc1snc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC 10.1016/j.bmcl.2015.03.095
25110522 72152 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 315 4 0 2 5.3 O=C(c1ccc(C2CC2)o1)N(C1CCCCC1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
CHEMBL1979472 72152 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 315 4 0 2 5.3 O=C(c1ccc(C2CC2)o1)N(C1CCCCC1)C1CCCCC1 10.1016/j.bmcl.2013.09.075
59438811 117829 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 368 7 1 5 3.1 CCn1c(C)nnc1C(CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
CHEMBL3402537 117829 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Antagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assayAntagonist activity against S1P1R in human U2OS cells expressing beta-arrestin/green fluorescent protein assessed as effect on S1P-induced beta-arrestin GFP relocalization incubated for 30 mins by Hoechst 33342 staining based receptor translocation assay
ChEMBL 368 7 1 5 3.1 CCn1c(C)nnc1C(CC1CC1)NS(=O)(=O)c1ccc(Cl)cc1 10.1016/j.bmcl.2015.03.095
117974292 148062 0 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 395 7 2 7 2.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
CHEMBL3934780 148062 0 None - 0 Mouse 7.1 pEC50 = 7.1 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 395 7 2 7 2.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
5309153 37496 10 None - 0 Human 5.1 pEC50 = 5.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 5 0 3 4.7 CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
CHEMBL1455786 37496 10 None - 0 Human 5.1 pEC50 = 5.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 318 5 0 3 4.7 CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1 10.1016/j.bmcl.2013.09.075
67284085 138319 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
CHEMBL3771116 138319 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay
ChEMBL 375 4 1 7 3.5 CC(C)Oc1ccc(-c2nnc(-n3ncc4c3CCNC4)s2)cc1Cl 10.1021/acs.jmedchem.5b01512
59177003 122835 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 397 5 1 4 4.1 CCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605532 122835 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 397 5 1 4 4.1 CCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
56961656 145676 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)ccc1OC(C)C nan
CHEMBL3916072 145676 0 None - 0 Mouse 8.1 pEC50 = 8.1 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)ccc1OC(C)C nan
78321974 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISAAgonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISA
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
CHEMBL3806205 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISAAgonist activity at human S1P1 receptor expressed in CHO cells assessed as ERK phosphorylation after 7 mins by alphaLISA
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
78321974 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
78321974 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL3806205 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL3806205 140312 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysisAgonist activity at human recombinant S1P1 expressed in CHO cells assessed as stimulation of ERK phosphorylation incubated for 7 mins by microplate reader analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
58329611 116349 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
CHEMBL3359519 116349 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Agonist activity at human S1P1 receptor by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor by beta-arrestin recruitment assay
ChEMBL 447 7 1 4 6.0 CC(C)Oc1ccc(COc2ccc3c(c2)cc2n3CCC2CC(=O)O)cc1C(F)(F)F 10.1021/ml500422m
10023913 12131 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 400 14 4 4 3.7 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL1184130 12131 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 400 14 4 4 3.7 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL334038 12131 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 400 14 4 4 3.7 CCCCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
59177212 122828 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 397 5 1 4 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21 10.1021/acs.jmedchem.5b01078
CHEMBL3605525 122828 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 397 5 1 4 4.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21 10.1021/acs.jmedchem.5b01078
59177115 122851 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 7 1 6 4.0 CCCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C 10.1021/acs.jmedchem.5b01078
CHEMBL3605548 122851 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 443 7 1 6 4.0 CCCn1ncc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)c1C 10.1021/acs.jmedchem.5b01078
44342468 12116 0 None - 0 Human 7.1 pEC50 = 7.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL1184089 12116 0 None - 0 Human 7.1 pEC50 = 7.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
CHEMBL332050 12116 0 None - 0 Human 7.1 pEC50 = 7.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@@H](N)COP(=O)(O)O)cc1 10.1016/s0960-894x(03)00812-6
25110484 72337 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 382 5 0 4 5.5 COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1 10.1016/j.bmcl.2013.09.075
CHEMBL1984536 72337 0 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at S1P1 receptor (unknown origin)Agonist activity at S1P1 receptor (unknown origin)
ChEMBL 382 5 0 4 5.5 COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1 10.1016/j.bmcl.2013.09.075
127035167 137265 0 None - 0 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 477 7 2 8 4.7 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
CHEMBL3752093 137265 0 None - 0 Human 7.1 pEC50 = 7.1 Binding
Agonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in EDG1-bla U2OS cells incubated for 18 hrs prior to GenBlazer substrate addition by beta-arrestin recruitment assay
ChEMBL 477 7 2 8 4.7 Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1 10.1016/j.bmcl.2015.11.090
122186560 122818 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 1 5 3.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605515 122818 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 393 6 1 5 3.8 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(OC)cc21 10.1021/acs.jmedchem.5b01078
24985568 122856 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 385 6 1 7 2.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605553 122856 0 None - 0 Human 8.1 pEC50 = 8.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 385 6 1 7 2.4 CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(OC)cc21 10.1021/acs.jmedchem.5b01078
155537600 172288 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4474880 172288 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(C[C@@H](O)c2ccc(-c3noc(-c4noc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
118717771 115163 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.5 CC(C)(C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1)C(F)(F)F 10.1016/j.bmcl.2014.09.003
CHEMBL3344413 115163 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 509 7 2 8 2.5 CC(C)(C(=O)N1CCN(c2noc(-c3cc(F)c(OC[C@@H](N)CO)cc3Cl)n2)CC1)C(F)(F)F 10.1016/j.bmcl.2014.09.003
44398012 12262 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 12 4 4 4.4 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL1184707 12262 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 12 4 4 4.4 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
CHEMBL364950 12262 0 None - 0 Human 8.0 pEC50 = 8.0 Binding
Effective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine-1-phosphate receptor 1 determined by a [c-35S]-GTP binding assay
ChEMBL 425 12 4 4 4.4 CCCCCCCCc1ccc(-c2c[nH]c(C(C)(N)COP(O)(O)=S)n2)cc1 10.1016/j.bmcl.2005.05.097
117983376 147886 0 None - 0 Mouse 8.0 pEC50 = 8 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 392 5 2 6 3.9 Cc1cc(C2=NC(c3ccc4c(c3)CC(N)(CO)CC4)N=N2)ccc1OC(C)C nan
CHEMBL3933363 147886 0 None - 0 Mouse 8.0 pEC50 = 8 Binding
β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.β-Arrestin Assay: Assay procedures: OCC culture solution was preheated in water tank at 37° C. Cells were taken out from liquor nitrogen tank, left on the dry-ice, and dissolved in water tank at 37° C. 0.5 ml OCC culture solution was added and blended slowly. The cells were diluted in 11.5 mL OCC culture solution, and 100 μL cell suspension (containing 8333 cells) was added to each well of the 96-well plate. The 96-well plate was incubated for 8 hours under 5% CO2 at 37° C., and 10 μL test compound dissolved in DMSO was added in; 10 μL DMSO was used as negative control. After the plate was incubated for 90 min at 37° C., 55 μL detection solution was added to each well. Then the results were read out by EnVision after the cell plate was incubated for 90 min at room temperature.
ChEMBL 392 5 2 6 3.9 Cc1cc(C2=NC(c3ccc4c(c3)CC(N)(CO)CC4)N=N2)ccc1OC(C)C nan
59177196 122833 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 361 5 1 4 3.2 CCn1c([C@@H](C)NS(=O)(=O)C2CC2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605530 122833 0 None - 0 Human 5.1 pEC50 = 5.1 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 361 5 1 4 3.2 CCn1c([C@@H](C)NS(=O)(=O)C2CC2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
118717786 115176 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 452 6 1 7 3.0 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
CHEMBL3344428 115176 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 452 6 1 7 3.0 CC1(C)CC(C(=O)N2CCN(c3noc(-c4cc(F)c(OCCO)cc4Cl)n3)CC2)C1 10.1016/j.bmcl.2014.09.003
118717775 115167 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 476 7 2 9 1.6 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4ccccn4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
CHEMBL3344417 115167 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assayAgonist activity at human S1P1 receptor expressed in human EDG1-bla U2OS cells after 18 hrs by beta-arrestin recruitment assay
ChEMBL 476 7 2 9 1.6 N[C@@H](CO)COc1cc(Cl)c(-c2nc(N3CCN(C(=O)c4ccccn4)CC3)no2)cc1F 10.1016/j.bmcl.2014.09.003
59177004 122844 0 None - 0 Human 5.0 pEC50 = 5.0 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccccn2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
CHEMBL3605541 122844 0 None - 0 Human 5.0 pEC50 = 5.0 Binding
Antagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocationAntagonist activity against human S1P1 receptor expressed in human U2OS cells co-expressing GFP assessed as inhibition of S1P-induced receptor translocation
ChEMBL 398 5 1 5 3.5 CCn1c([C@@H](C)NS(=O)(=O)c2ccccn2)nc2ccc(C(F)(F)F)cc21 10.1021/acs.jmedchem.5b01078
50923423 174453 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 503 9 3 9 3.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCNC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4553920 174453 0 None - 0 Human 7.0 pEC50 = 7.0 Binding
Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayAgonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay
ChEMBL 503 9 3 9 3.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCNC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
78321974 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
CHEMBL3806205 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acsmedchemlett.5b00448
78321974 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL3806205 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
78321974 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysisDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL3806205 140312 0 None - 0 Human 11.0 pIC50 = 11 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysisDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysis
ChEMBL 409 9 3 3 4.8 CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
2924 1638 43 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
44398069 1638 43 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
9908268 1638 43 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
CHEMBL114606 1638 43 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation countingDisplacement of 33-P-S1P from from human S1P receptor expressed in CHO cell membranes after 50 mins by scintillation counting
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/acsmedchemlett.5b00448
118877433 177338 0 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysisDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
CHEMBL4637401 177338 0 None - 0 Human 10.9 pIC50 = 10.9 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysisDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by radioligand competitive binding analysis
ChEMBL 459 8 3 4 4.5 COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.8b01695
118877603 180427 0 None - 0 Human 10.8 pIC50 = 10.8 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4752394 180427 0 None - 0 Human 10.8 pIC50 = 10.8 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 425 10 3 4 4.1 COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
118877584 182451 0 None - 0 Human 10.4 pIC50 = 10.4 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
CHEMBL4786296 182451 0 None - 0 Human 10.4 pIC50 = 10.4 Binding
Displacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting methodDisplacement of [33P]-SIP from human recombinant S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount scintillation counting method
ChEMBL 411 9 3 4 3.7 CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1 10.1021/acs.jmedchem.0c01109
10384596 10134 2 None - 0 Human 10.0 pIC50 = 10 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL115713 10134 2 None - 0 Human 10.0 pIC50 = 10 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
10384596 10134 2 None - 0 Human 10.0 pIC50 = 10 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL115713 10134 2 None - 0 Human 10.0 pIC50 = 10 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
44341276 10104 0 None - 0 Human 10.0 pIC50 = 10 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL115554 10104 0 None - 0 Human 10.0 pIC50 = 10 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
44394191 66307 0 None - 0 Human 10.0 pIC50 = 10 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 381 12 3 2 5.3 CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL184879 66307 0 None - 0 Human 10.0 pIC50 = 10 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 381 12 3 2 5.3 CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 10.1016/j.bmcl.2004.07.049
66955472 172292 0 None - 0 Human 10.0 pIC50 = 10.0 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4474984 172292 0 None - 0 Human 10.0 pIC50 = 10.0 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 542 8 2 8 5.3 O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
68056137 129452 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 468 9 2 6 5.1 Cc1cc(-c2noc(CCC3(c4ccc(F)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO nan
CHEMBL3671362 129452 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 468 9 2 6 5.1 Cc1cc(-c2noc(CCC3(c4ccc(F)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO nan
155550350 175120 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 462 11 3 8 4.1 CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4569675 175120 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 462 11 3 8 4.1 CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
44591250 189752 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F 10.1016/j.bmcl.2008.11.072
CHEMBL515921 189752 0 None - 0 Human 9.9 pIC50 = 9.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F 10.1016/j.bmcl.2008.11.072
11222939 67573 9 None - 0 Human 9.8 pIC50 = 9.8 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
44438254 67573 9 None - 0 Human 9.8 pIC50 = 9.8 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL190006 67573 9 None - 0 Human 9.8 pIC50 = 9.8 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1 10.1016/j.bmcl.2010.01.118
10883396 3647 45 None -1 4 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
5283560 3647 45 None -1 4 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
911 3647 45 None -1 4 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
CHEMBL225155 3647 45 None -1 4 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
9885762 9732 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL113344 9732 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
44394273 64576 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 395 12 3 2 5.6 CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL181597 64576 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 395 12 3 2 5.6 CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1 10.1016/j.bmcl.2004.07.049
44394191 66307 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 381 12 3 2 5.3 CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL184879 66307 0 None - 0 Human 9.8 pIC50 = 9.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 381 12 3 2 5.3 CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1 10.1016/j.bmcl.2004.07.049
11725751 12845 5 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL118860 12845 5 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
11725751 12845 5 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL118860 12845 5 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
10149985 13377 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 341 13 3 2 4.2 CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL119256 13377 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 341 13 3 2 4.2 CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
44565739 178958 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 459 12 4 5 4.2 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL470511 178958 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 459 12 4 5 4.2 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
66693039 129979 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 463 8 1 5 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676128 129979 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 463 8 1 5 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
50925336 171097 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4457691 171097 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
44565597 179285 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 436 12 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473156 179285 0 None - 0 Human 9.7 pIC50 = 9.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 436 12 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
25008420 8462 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 547 9 4 5 5.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL1093823 8462 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 547 9 4 5 5.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
46885796 8409 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1093429 8409 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1 10.1016/j.bmcl.2010.02.098
44591265 179979 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 425 13 4 5 4.1 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2008.11.072
CHEMBL474689 179979 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 425 13 4 5 4.1 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1 10.1016/j.bmcl.2008.11.072
11452022 3594 39 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100227q
6996 3594 39 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100227q
CHEMBL366208 3594 39 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1021/ml100227q
2924 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
44398069 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
9908268 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
CHEMBL114606 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
2924 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
44398069 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
9908268 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
CHEMBL114606 1638 43 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
46905530 10290 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 14 5 6 2.6 CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL1161691 10290 0 None - 0 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 14 5 6 2.6 CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 10.1016/j.bmcl.2004.07.049
53496094 131138 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 529 8 2 8 3.7 CN(C)C(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686140 131138 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 529 8 2 8 3.7 CN(C)C(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
24812110 10748 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 373 13 4 4 3.3 CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL117130 10748 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 373 13 4 4 3.3 CCCCCCCCc1ccc(CCC(N)(CO)OP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
10126584 13593 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 391 14 3 3 4.7 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl 10.1016/j.bmcl.2004.04.070
CHEMBL119413 13593 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 391 14 3 3 4.7 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Cl 10.1016/j.bmcl.2004.04.070
10172546 114442 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 15 3 3 4.5 CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL333335 114442 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 15 3 3 4.5 CCCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
56644161 129977 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 479 9 1 6 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676126 129977 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 479 9 1 6 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
10287034 66181 3 None - 0 Human 9.5 pIC50 = 9.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 367 11 2 2 4.7 CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL184349 66181 3 None - 0 Human 9.5 pIC50 = 9.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 367 11 2 2 4.7 CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 10.1016/j.bmcl.2004.07.049
44591266 179298 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 443 13 4 5 4.2 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F 10.1016/j.bmcl.2008.11.072
CHEMBL473269 179298 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 443 13 4 5 4.2 CCCCCCCCOc1ccc(-c2c[nH]c([C@@](C)(N)COP(=O)(O)O)n2)cc1F 10.1016/j.bmcl.2008.11.072
44591264 179977 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 10.1016/j.bmcl.2008.11.072
CHEMBL474688 179977 0 None - 0 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 420 13 4 5 3.3 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)c(F)c1 10.1016/j.bmcl.2008.11.072
53235481 151140 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human S1P1Binding affinity to human S1P1
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
CHEMBL3959509 151140 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human S1P1Binding affinity to human S1P1
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 10.1021/acs.jmedchem.6b01099
10310253 13504 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 435 14 3 3 4.8 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br 10.1016/j.bmcl.2004.04.070
CHEMBL119354 13504 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 435 14 3 3 4.8 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1Br 10.1016/j.bmcl.2004.04.070
10309462 13630 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 385 14 3 3 4.7 CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C 10.1016/j.bmcl.2004.04.070
CHEMBL119440 13630 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 385 14 3 3 4.7 CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1C 10.1016/j.bmcl.2004.04.070
10311227 169331 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 493 17 3 4 5.6 CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL441826 169331 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 493 17 3 4 5.6 CCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
10408874 72488 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 403 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL198976 72488 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 403 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 10.1021/jm0503244
11743459 140789 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 431 7 1 5 4.4 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL381872 140789 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 431 7 1 5 4.4 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 10.1021/jm0503244
117974388 143376 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 447 5 2 6 4.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
CHEMBL3897804 143376 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 447 5 2 6 4.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
117983376 147886 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.9 Cc1cc(C2=NC(c3ccc4c(c3)CC(N)(CO)CC4)N=N2)ccc1OC(C)C nan
CHEMBL3933363 147886 0 None - 0 Human 9.4 pIC50 = 9.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.9 Cc1cc(C2=NC(c3ccc4c(c3)CC(N)(CO)CC4)N=N2)ccc1OC(C)C nan
53496599 131123 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 573 10 4 9 3.5 CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686125 131123 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 573 10 4 9 3.5 CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
56644158 129453 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 477 9 1 5 5.6 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3671363 129453 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 477 9 1 5 5.6 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
155528529 171349 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4461520 171349 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 528 7 2 8 4.9 O=C(O)[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
10883396 3647 45 None -1 4 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
5283560 3647 45 None -1 4 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
911 3647 45 None -1 4 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
CHEMBL225155 3647 45 None -1 4 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2008.11.072
44344298 13542 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 395 13 3 6 3.0 CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 10.1016/j.bmcl.2004.04.070
CHEMBL119382 13542 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 395 13 3 6 3.0 CCCCCCCn1nnc(-c2ccc(CNCCCP(=O)(O)O)cc2)n1 10.1016/j.bmcl.2004.04.070
44344270 110114 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 395 13 3 5 3.9 CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 10.1016/j.bmcl.2004.04.070
CHEMBL323617 110114 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 395 13 3 5 3.9 CCCCCCCc1nc(-c2ccc(CNCCCP(=O)(O)O)cc2)no1 10.1016/j.bmcl.2004.04.070
10150372 112906 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 14 3 3 4.4 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C 10.1016/j.bmcl.2004.04.070
CHEMBL331054 112906 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 14 3 3 4.4 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1C 10.1016/j.bmcl.2004.04.070
155534250 171904 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@H]4CCC[C@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4469843 171904 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@H]4CCC[C@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
56645614 129983 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 493 9 1 5 6.1 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(Cl)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676132 129983 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 493 9 1 5 6.1 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccc(Cl)cc5)CCCCC4)n3)cc2)C1 nan
56949140 147258 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 367 5 0 4 5.6 Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
CHEMBL3928616 147258 0 None - 0 Human 9.3 pIC50 = 9.3 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 367 5 0 4 5.6 Clc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccn1 nan
53235479 150560 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F nan
CHEMBL3954922 150560 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 475 6 1 6 4.8 CC(C)Cc1onc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)c1C(F)(F)F nan
11725751 12845 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL118860 12845 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
10151146 13209 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 425 14 3 3 5.4 CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl 10.1016/j.bmcl.2004.04.070
CHEMBL119116 13209 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 425 14 3 3 5.4 CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1Cl 10.1016/j.bmcl.2004.04.070
10149985 13377 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 341 13 3 2 4.2 CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL119256 13377 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 341 13 3 2 4.2 CCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
10430549 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/jm0503244
2929 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/jm0503244
CHEMBL194419 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/jm0503244
10430549 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1016/j.bmcl.2006.03.090
2929 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1016/j.bmcl.2006.03.090
CHEMBL194419 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1016/j.bmcl.2006.03.090
10430549 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/ml100227q
2929 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/ml100227q
CHEMBL194419 1047 39 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 7 1 5 4.1 CC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C 10.1021/ml100227q
44412755 166005 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cellsInhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells
ChEMBL 421 9 1 6 4.0 CC(C)Cc1ccc(-c2nc(COc3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1016/j.bmcl.2006.04.084
CHEMBL425428 166005 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cellsInhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells
ChEMBL 421 9 1 6 4.0 CC(C)Cc1ccc(-c2nc(COc3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1016/j.bmcl.2006.04.084
44412165 77759 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL209076 77759 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
52914984 147556 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3930827 147556 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
10883396 3647 45 None -1 4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
5283560 3647 45 None -1 4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
911 3647 45 None -1 4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
CHEMBL225155 3647 45 None -1 4 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
50925181 169909 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 488 9 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4440968 169909 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 488 9 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
76401563 124640 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 570 6 3 9 5.1 O=C(O)[C@@H]1CCCC[C@H]1N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
CHEMBL3640922 124640 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 570 6 3 9 5.1 O=C(O)[C@@H]1CCCC[C@H]1N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
10193915 14183 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 375 14 3 3 4.2 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F 10.1016/j.bmcl.2004.04.070
CHEMBL119873 14183 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 375 14 3 3 4.2 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1F 10.1016/j.bmcl.2004.04.070
44412416 78195 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 431 6 2 5 5.7 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL210520 78195 0 None - 0 Human 9.2 pIC50 = 9.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 431 6 2 5 5.7 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
44591249 180634 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 402 13 4 5 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2008.11.072
CHEMBL475495 180634 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 402 13 4 5 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2008.11.072
10150171 168007 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 357 13 3 3 4.0 CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL432067 168007 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 357 13 3 3 4.0 CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
10150171 168007 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 357 13 3 3 4.0 CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL432067 168007 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 357 13 3 3 4.0 CCCCCCCCc1ccc(CCC(N)COP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
44565712 189811 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 484 10 4 5 4.0 Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL516380 189811 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 484 10 4 5 4.0 Cc1ccccc1-c1ccc(CCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2009.02.073
10883396 3647 45 None -1 4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
5283560 3647 45 None -1 4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
911 3647 45 None -1 4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
CHEMBL225155 3647 45 None -1 4 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2010.02.098
11575787 70630 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 439 6 1 5 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL195014 70630 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 439 6 1 5 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1021/jm0503244
44412364 78101 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL210257 78101 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
44413349 77637 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 453 6 2 5 5.4 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL208838 77637 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 453 6 2 5 5.4 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
46885743 7700 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 504 10 4 5 4.4 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1088820 7700 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 504 10 4 5 4.4 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 10.1016/j.bmcl.2010.02.098
11555202 179729 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 504 10 4 5 4.4 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL474407 179729 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 504 10 4 5 4.4 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 10.1016/j.bmcl.2009.02.073
53496459 131137 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 474 7 3 8 3.2 O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686139 131137 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 474 7 3 8 3.2 O=C(NCCO)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10172513 10180 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 369 14 3 3 4.3 CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL115970 10180 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 369 14 3 3 4.3 CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
10287365 10571 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 389 12 3 2 5.1 CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL116981 10571 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 389 12 3 2 5.1 CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2004.04.070
11604577 72323 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 439 6 1 5 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL198415 72323 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 439 6 1 5 4.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1021/jm0503244
44565714 179295 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 484 11 4 5 4.1 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473238 179295 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 484 11 4 5 4.1 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
44565738 189751 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 445 11 4 5 3.8 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL515917 189751 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 445 11 4 5 3.8 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
67172039 148988 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
CHEMBL3942289 148988 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 484 6 1 4 5.8 CC(C)Cc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
50923275 175921 0 None - 0 Human 9.0 pIC50 = 9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4587424 175921 0 None - 0 Human 9.0 pIC50 = 9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
44413446 78348 0 None - 0 Human 9.0 pIC50 = 9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 417 6 2 5 5.2 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL211006 78348 0 None - 0 Human 9.0 pIC50 = 9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 417 6 2 5 5.2 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
44565717 189528 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL514170 189528 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
44565717 189528 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL514170 189528 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 479 9 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2010.02.098
11540052 180565 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL475405 180565 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
11540052 180565 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL475405 180565 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
44344390 13495 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 15 3 2 4.5 O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 10.1016/j.bmcl.2004.04.069
CHEMBL119349 13495 0 None - 0 Human 9.0 pIC50 = 9.0 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 15 3 2 4.5 O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 10.1016/j.bmcl.2004.04.069
53235405 145092 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3911661 145092 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2onc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
10174548 12799 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 507 18 3 4 6.0 CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL118815 12799 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 507 18 3 4 6.0 CCCCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
44412165 77759 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL209076 77759 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
44413349 77637 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 453 6 2 5 5.4 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL208838 77637 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 453 6 2 5 5.4 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
10127475 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL425563 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
10127475 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
CHEMBL425563 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
44565622 179338 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 428 11 4 5 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473562 179338 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 428 11 4 5 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1 10.1016/j.bmcl.2009.02.073
117974352 149420 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2noc(-c3ccc4c(c3)CCC(N)(CO)C4)n2)ccc1OC(C)C nan
CHEMBL3945798 149420 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2noc(-c3ccc4c(c3)CCC(N)(CO)C4)n2)ccc1OC(C)C nan
10127475 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cellsInhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.04.084
CHEMBL425563 166027 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Inhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cellsInhibition of [33P]S1P binding to S1P1 receptor expressed in CHO cells
ChEMBL 447 7 1 4 5.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.04.084
121596251 142634 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 374 6 0 5 5.4 Cc1ccsc1-c1noc(COCC2(c3ccc(Cl)cc3)CCC2)n1 nan
CHEMBL3891659 142634 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 374 6 0 5 5.4 Cc1ccsc1-c1noc(COCC2(c3ccc(Cl)cc3)CCC2)n1 nan
53235407 149492 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3946363 149492 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 404 6 1 5 4.4 CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
10289318 114025 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 513 14 3 3 5.6 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br 10.1016/j.bmcl.2004.04.070
CHEMBL332667 114025 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 513 14 3 3 5.6 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1Br 10.1016/j.bmcl.2004.04.070
10317453 70416 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 377 7 1 5 3.9 CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL194578 70416 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 377 7 1 5 3.9 CCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
10363915 135191 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 405 7 1 5 4.6 CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL372066 135191 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 405 7 1 5 4.6 CCC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
46885744 7759 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 548 10 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Br)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1089127 7759 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 548 10 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Br)c1 10.1016/j.bmcl.2010.02.098
10174181 11267 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 479 16 3 4 5.2 CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL117910 11267 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity towards human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 479 16 3 4 5.2 CCCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
9979368 71704 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 417 6 1 5 5.0 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL196534 71704 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 417 6 1 5 5.0 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 10.1021/jm0503244
10883396 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
5283560 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
911 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
CHEMBL225155 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR1 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
10883396 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
5283560 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
911 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
CHEMBL225155 3647 45 None -1 4 Human 8.9 pIC50 = 8.9 Binding
Displacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR1 expressed in CHOK1 cell membranes pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
44413447 138681 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 431 6 2 5 5.6 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL377828 138681 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 431 6 2 5 5.6 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCCCC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
10172354 113784 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 357 14 3 3 4.1 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL332373 113784 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 357 14 3 3 4.1 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
155537818 172337 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 390 7 2 7 4.0 CCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4475594 172337 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 390 7 2 7 4.0 CCCc1c(-c2nc(-c3ccc(C(O)CN)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
67168136 144715 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3908750 144715 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 497 5 1 7 5.1 O=C(O)C1CN(Cc2ccc3c(c2)OCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
56644160 129454 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 473 9 1 6 4.7 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccccc5)CCCCC4=O)n3)cc2)C1 nan
CHEMBL3671364 129454 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 473 9 1 6 4.7 O=C(O)C1CN(Cc2ccc(-c3noc(CCCC4(c5ccccc5)CCCCC4=O)n3)cc2)C1 nan
10251062 70635 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 411 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL195025 70635 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 411 6 1 5 4.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(-c5ccccc5)cc4)n3)cc2)C1 10.1021/jm0503244
10249979 71644 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 393 7 1 6 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL196357 71644 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 393 7 1 6 3.7 CC(C)Oc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
155522973 170768 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@@H]4CCC[C@@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4452807 170768 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 3 8 4.9 CCCc1c(-c2nc(-c3ccc(C(O)CN[C@@H]4CCC[C@@H]4C(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
10288527 85027 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 1 4 5.8 Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224005 85027 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 1 4 5.8 Cc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
44623998 1594 38 None - 0 Human 8.7 pIC50 = 8.7 Binding
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cellsInduction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
9331 1594 38 None - 0 Human 8.7 pIC50 = 8.7 Binding
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cellsInduction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
CHEMBL3358920 1594 38 None - 0 Human 8.7 pIC50 = 8.7 Binding
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cellsInduction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
DB14766 1594 38 None - 0 Human 8.7 pIC50 = 8.7 Binding
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cellsInduction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells
ChEMBL 457 6 2 2 6.9 OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1 10.1021/ml500389m
10287343 12317 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 387 15 3 4 4.1 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL118508 12317 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 387 15 3 4 4.1 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
56949141 148134 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 348 5 1 5 4.5 Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 nan
CHEMBL3935426 148134 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 348 5 1 5 4.5 Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1 nan
117974092 153947 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 463 7 2 7 3.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
CHEMBL3983561 153947 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 463 7 2 7 3.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C(F)(F)F nan
11502026 71452 0 None - 0 Human 7.0 pIC50 = 7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 10.1021/jm0503244
CHEMBL196149 71452 0 None - 0 Human 7.0 pIC50 = 7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 10.1021/jm0503244
11502026 71452 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 10.1021/ml100227q
CHEMBL196149 71452 0 None - 0 Human 7.0 pIC50 = 7 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 10.1021/ml100227q
162653039 180390 0 None - 0 Human 7.0 pIC50 = 7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 353 4 1 5 4.0 CCC/N=C1\S/C(=C\c2ccc(O)cn2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4751870 180390 0 None - 0 Human 7.0 pIC50 = 7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 353 4 1 5 4.0 CCC/N=C1\S/C(=C\c2ccc(O)cn2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
49830725 71889 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 3.8 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1971132 71889 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 3.8 O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
44394117 66339 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 17 2 2 6.1 CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL185066 66339 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 17 2 2 6.1 CCCCCCCCCCCCCCC1CCCN1CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
59451764 136652 1 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 291 9 1 3 3.2 CCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740060 136652 1 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 291 9 1 3 3.2 CCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
67515882 124631 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 516 7 3 9 3.9 O=C(O)CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O nan
CHEMBL3640913 124631 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 516 7 3 9 3.9 O=C(O)CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O nan
44344360 10244 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 339 14 3 3 4.8 CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL1160958 10244 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 339 14 3 3 4.8 CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 10.1016/j.bmcl.2004.04.069
137651211 157323 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 339 13 2 2 5.0 CCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL4077381 157323 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 339 13 2 2 5.0 CCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 10.1021/acs.jmedchem.6b01575
44565713 180436 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 495 10 4 6 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL475247 180436 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 495 10 4 6 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3C#N)cc2)cc1 10.1016/j.bmcl.2009.02.073
56948657 143955 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 350 5 0 3 5.7 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3902467 143955 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 350 5 0 3 5.7 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
56646204 129986 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 501 9 1 6 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(Cl)cc5)CCC4)n3)c(Cl)c2)C1 nan
CHEMBL3676135 129986 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 501 9 1 6 5.2 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(Cl)cc5)CCC4)n3)c(Cl)c2)C1 nan
46872048 136791 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 395 7 1 4 4.1 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl 10.1021/acs.jmedchem.5b00928
CHEMBL3741364 136791 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 395 7 1 4 4.1 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl 10.1021/acs.jmedchem.5b00928
89707709 147679 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 304 3 0 3 5.2 c1ccc(-c2noc(C3CCCCC3c3ccccc3)n2)cc1 nan
CHEMBL3931826 147679 0 None - 0 Human 4.9 pIC50 = 4.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 304 3 0 3 5.2 c1ccc(-c2noc(C3CCCCC3c3ccccc3)n2)cc1 nan
117974113 144747 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
CHEMBL3908980 144747 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
57335217 124635 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 542 7 3 9 4.3 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CC1 nan
CHEMBL3640917 124635 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 542 7 3 9 4.3 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CC1 nan
53496464 131140 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 560 7 3 8 5.3 O=C(NCc1nc2ccccc2[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686142 131140 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 560 7 3 8 5.3 O=C(NCc1nc2ccccc2[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10288370 12749 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 451 14 3 4 4.5 CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL118783 12749 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 451 14 3 4 4.5 CCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
56948654 152761 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 minsDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 mins
ChEMBL 385 5 1 4 4.5 O=c1cc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)cc[nH]1 10.1021/acs.jmedchem.6b01575
CHEMBL3973465 152761 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 minsDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 mins
ChEMBL 385 5 1 4 4.5 O=c1cc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)cc[nH]1 10.1021/acs.jmedchem.6b01575
50923425 175360 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 474 8 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4574665 175360 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 474 8 2 8 4.5 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
11466640 85088 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 525 7 1 4 6.3 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 10.1021/jm0492507
CHEMBL224599 85088 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 525 7 1 4 6.3 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Br)c2)C1 10.1021/jm0492507
56948654 152761 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 385 5 1 4 4.5 O=c1cc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)cc[nH]1 nan
CHEMBL3973465 152761 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 385 5 1 4 4.5 O=c1cc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)cc[nH]1 nan
136078764 148029 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 399 5 1 4 4.8 Cc1ccc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)c(=O)[nH]1 nan
CHEMBL3934569 148029 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 399 5 1 4 4.8 Cc1ccc(-c2noc(CCC3(c4cc(F)cc(F)c4)CCCCC3)n2)c(=O)[nH]1 nan
56643961 129980 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 489 8 2 6 4.1 O=C(O)C1CN(Cc2ccc(-c3noc(C(F)(F)C(O)C4(c5ccc(Cl)cc5)CC4)n3)cc2)C1 nan
CHEMBL3676129 129980 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 489 8 2 6 4.1 O=C(O)C1CN(Cc2ccc(-c3noc(C(F)(F)C(O)C4(c5ccc(Cl)cc5)CC4)n3)cc2)C1 nan
57335932 124639 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 516 7 3 9 3.9 O=C(O)CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
CHEMBL3640921 124639 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 516 7 3 9 3.9 O=C(O)CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
10308738 10269 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 14 3 3 3.9 CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL116140 10269 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 14 3 3 3.9 CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
10309271 13356 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 373 14 4 4 3.8 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O 10.1016/j.bmcl.2004.04.070
CHEMBL119239 13356 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 373 14 4 4 3.8 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1O 10.1016/j.bmcl.2004.04.070
137371335 192867 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 426 9 1 6 4.3 OCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5183923 192867 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 426 9 1 6 4.3 OCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5221901 192867 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 426 9 1 6 4.3 OCCOCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
10172545 9623 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.4 CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL112655 9623 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.4 CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
44341399 206965 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 724 25 7 5 7.9 CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL91283 206965 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 724 25 7 5 7.9 CCCCCCCCc1ccc(CCC(N)/C=C/P(=O)(O)O)cc1.CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
58907649 86567 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 336 12 3 4 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
CHEMBL2315814 86567 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 336 12 3 4 3.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
44344456 10641 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL117031 10641 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.6 NC(CCCCCCCCCCc1ccccc1)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
44341466 10012 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL114976 10012 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
137371400 192979 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 412 7 2 6 3.8 OCC(O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5200777 192979 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 412 7 2 6 3.8 OCC(O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5222564 192979 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 412 7 2 6 3.8 OCC(O)c1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
9796603 164319 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 307 14 3 2 4.2 CCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL421234 164319 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 307 14 3 2 4.2 CCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
46885695 7996 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 513 11 5 6 2.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1090673 7996 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 513 11 5 6 2.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C(N)=O)c1 10.1016/j.bmcl.2010.02.098
136374592 154023 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 330 2 1 5 4.5 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1 nan
CHEMBL3984238 154023 0 None - 0 Human 4.8 pIC50 = 4.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 330 2 1 5 4.5 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2)on1 nan
162655987 180726 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 338 4 1 4 4.1 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C 10.1021/acsmedchemlett.8b00616
CHEMBL4755800 180726 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 338 4 1 4 4.1 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C(C)C 10.1021/acsmedchemlett.8b00616
67172159 142877 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 497 6 2 6 5.5 CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O nan
CHEMBL3893505 142877 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 497 6 2 6 5.5 CC(N)(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)C(=O)O nan
117974347 142732 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 365 4 2 6 2.9 COc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
CHEMBL3892404 142732 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 365 4 2 6 2.9 COc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
44394116 66348 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 349 17 2 2 5.2 CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL185100 66348 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 349 17 2 2 5.2 CCCCCCCCCCCCCCN(C)CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
44394212 67168 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 373 15 2 2 6.5 CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 10.1016/j.bmcl.2004.07.049
CHEMBL187692 67168 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 373 15 2 2 6.5 CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 10.1016/j.bmcl.2004.07.049
136374642 142665 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 319 3 1 3 5.0 CC(C)Cc1ccc(-c2onc3c2CCc2cc(O)ccc2-3)cc1 nan
CHEMBL3891908 142665 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 319 3 1 3 5.0 CC(C)Cc1ccc(-c2onc3c2CCc2cc(O)ccc2-3)cc1 nan
10216035 11033 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 391 20 3 2 6.5 CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL117569 11033 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 391 20 3 2 6.5 CCCCCCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
53495941 131136 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 458 6 2 7 4.2 CCNC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686138 131136 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 458 6 2 7 4.2 CCNC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
44412232 166318 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 391 6 2 5 4.5 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL427221 166318 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 391 6 2 5 4.5 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
58725140 86574 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 481 8 3 4 5.8 N[C@@H](CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
CHEMBL2315821 86574 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 481 8 3 4 5.8 N[C@@H](CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
44341291 10135 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL115714 10135 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
10309022 10035 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 13 2 3 4.1 CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL115131 10035 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 13 2 3 4.1 CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 10.1016/j.bmcl.2004.02.106
59451812 136887 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 331 6 1 3 3.4 O=C(O)C1CN(Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3742245 136887 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 331 6 1 3 3.4 O=C(O)C1CN(Cc2ccc(OCc3cccc(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
56961657 148535 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 483 8 2 6 5.5 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(NCc3ccccc3)CC4)o2)ccc1OC(C)C nan
CHEMBL3938629 148535 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 483 8 2 6 5.5 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(NCc3ccccc3)CC4)o2)ccc1OC(C)C nan
117974186 149295 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 409 7 2 7 3.4 CCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1OCC nan
CHEMBL3944743 149295 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 409 7 2 7 3.4 CCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1OCC nan
101863648 158485 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 303 10 1 2 4.1 CCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL4090982 158485 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 303 10 1 2 4.1 CCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.6b01575
127037694 136653 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 347 13 1 3 4.7 CCCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740062 136653 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 347 13 1 3 4.7 CCCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
10149721 85095 5 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 317 11 1 2 4.5 CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/jm0492507
CHEMBL224623 85095 5 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 317 11 1 2 4.5 CCCCCCCCCc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/jm0492507
53496341 124452 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 559 7 3 7 5.9 O=C(NCc1cc2ccccc2[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3639850 124452 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 559 7 3 7 5.9 O=C(NCc1cc2ccccc2[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
11690779 189713 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 442 8 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL515603 189713 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 442 8 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
10125861 13198 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 16 3 2 5.0 CCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL119110 13198 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 16 3 2 5.0 CCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
162669479 182781 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 430 4 1 4 5.4 CCC/N=C1\S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4790404 182781 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 430 4 1 4 5.4 CCC/N=C1\S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
10149595 111130 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 305 12 2 2 4.3 CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL326346 111130 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 305 12 2 2 4.3 CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
10149595 111130 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 305 12 2 2 4.3 CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL326346 111130 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 305 12 2 2 4.3 CCCCCCCCc1ccc(CCC(N)CC(=O)O)cc1 10.1016/j.bmcl.2004.02.106
162644585 179468 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 428 4 1 6 3.3 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCS(=O)(=O)CC1 10.1021/acsmedchemlett.8b00616
CHEMBL4740803 179468 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 428 4 1 6 3.3 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCS(=O)(=O)CC1 10.1021/acsmedchemlett.8b00616
162658756 180996 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 434 3 1 4 5.6 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C1CC(F)(F)C1 10.1021/acsmedchemlett.8b00616
CHEMBL4758919 180996 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 434 3 1 4 5.6 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C1CC(F)(F)C1 10.1021/acsmedchemlett.8b00616
53496603 131124 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 526 7 2 10 4.1 Cc1nnc(CNC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)o1 nan
CHEMBL3686126 131124 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 526 7 2 10 4.1 Cc1nnc(CNC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)o1 nan
10286857 168102 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 353 14 2 2 5.4 CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL432809 168102 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 353 14 2 2 5.4 CCCCCCCCCc1ccc(CNCCCP(C)(=O)O)cc1 10.1016/j.bmcl.2004.04.069
44412353 166226 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 435 6 2 5 5.5 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL426688 166226 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 435 6 2 5 5.5 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)c(F)c4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
127041987 136626 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 319 11 1 3 3.9 CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3739878 136626 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 319 11 1 3 3.9 CCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
59451883 136833 1 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 295 6 1 2 3.0 O=C(O)C1CN(Cc2ccc(CCc3ccccc3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741743 136833 1 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 295 6 1 2 3.0 O=C(O)C1CN(Cc2ccc(CCc3ccccc3)cc2)C1 10.1021/acs.jmedchem.5b00928
44413365 77380 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 467 6 2 5 5.8 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL208648 77380 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 467 6 2 5 5.8 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
90654198 131143 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 511 7 2 9 4.4 O=C(NCc1cnco1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686145 131143 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 511 7 2 9 4.4 O=C(NCc1cnco1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
44565596 189544 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 422 11 4 5 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL514302 189544 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 422 11 4 5 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1 10.1016/j.bmcl.2009.02.073
46932843 191525 2 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to recombinant human S1PR1 expressed in cell membraneBinding affinity to recombinant human S1PR1 expressed in cell membrane
ChEMBL 513 8 1 5 6.4 Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CN(C)CCC(=O)O)c(F)c3)no2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01571
CHEMBL5194177 191525 2 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to recombinant human S1PR1 expressed in cell membraneBinding affinity to recombinant human S1PR1 expressed in cell membrane
ChEMBL 513 8 1 5 6.4 Cc1ccccc1-c1ccc(-c2nc(-c3ccc(CN(C)CCC(=O)O)c(F)c3)no2)cc1C(F)(F)F 10.1021/acs.jmedchem.1c01571
11653967 70572 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 389 6 1 5 4.2 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL194898 70572 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 389 6 1 5 4.2 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 10.1021/jm0503244
44413415 138688 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 2 4 6.1 O=C(O)CC1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL377855 138688 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 2 4 6.1 O=C(O)CC1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
44344193 114910 5 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL334213 114910 5 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
10215741 11011 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 13 3 4 3.5 CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL117403 11011 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 13 3 4 3.5 CCCCCCCOC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
10173002 168103 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 401 15 3 4 4.4 CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL432813 168103 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 401 15 3 4 4.4 CCCCCCCCOc1c(C)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
44344193 114910 5 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1021/jm0492507
CHEMBL334213 114910 5 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1021/jm0492507
10173327 11050 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 421 15 3 4 4.7 CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL117715 11050 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 421 15 3 4 4.7 CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
44344194 11914 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 321 16 3 2 4.5 CCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL118265 11914 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 321 16 3 2 4.5 CCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
10126736 110486 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 401 16 3 4 4.5 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC 10.1016/j.bmcl.2004.04.070
CHEMBL324820 110486 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 401 16 3 4 4.5 CCCCCCCCOc1ccc(CNCCCP(=O)(O)O)cc1OCC 10.1016/j.bmcl.2004.04.070
11683935 179339 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 456 9 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473563 179339 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 456 9 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
53497144 131131 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 515 7 3 8 3.4 CNC(=O)[C@H](C)NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686133 131131 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 515 7 3 8 3.4 CNC(=O)[C@H](C)NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
53495245 131132 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 495 6 2 8 4.3 N#CC1(NC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)CC1 nan
CHEMBL3686134 131132 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 495 6 2 8 4.3 N#CC1(NC(=O)C(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)CC1 nan
44412428 78291 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 435 6 2 5 5.5 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL210782 78291 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 435 6 2 5 5.5 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc(C5CCCC5)cc4F)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
11248292 143504 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 465 7 1 4 5.7 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 10.1021/jm0492507
CHEMBL389880 143504 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 465 7 1 4 5.7 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(F)c2)C1 10.1021/jm0492507
53496604 131141 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 557 8 3 9 2.8 O=C(NCCC(=O)N1CC(O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686143 131141 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 557 8 3 9 2.8 O=C(NCCC(=O)N1CC(O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10045980 69838 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 8 1 5 4.3 CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL193789 69838 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 8 1 5 4.3 CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
44412165 77759 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
CHEMBL209076 77759 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 453 6 2 5 5.6 O=C(O)C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)N1 10.1016/j.bmcl.2006.03.038
57335655 124637 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 556 7 3 9 4.7 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCC1 nan
CHEMBL3640919 124637 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 556 7 3 9 4.7 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCC1 nan
10215259 85105 5 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 331 11 1 2 4.9 CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 10.1021/jm0492507
CHEMBL224703 85105 5 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 331 11 1 2 4.9 CCCCCCCCCc1ccc(CN2CCC(C(=O)O)C2)cc1 10.1021/jm0492507
44394161 67023 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 16 2 2 6.1 CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL187061 67023 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 16 2 2 6.1 CCCCCCCCCCCCCC1CCCCN1CCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
11705484 179294 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc(-c3ccccc3)c2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473237 179294 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 470 10 4 5 3.7 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc(-c3ccccc3)c2)cc1 10.1016/j.bmcl.2009.02.073
44565595 179269 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 476 10 4 6 3.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3cccs3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473016 179269 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 476 10 4 6 3.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3cccs3)cc2)cc1 10.1016/j.bmcl.2009.02.073
46885693 8205 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 528 11 4 7 3.5 COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL1092190 8205 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 528 11 4 7 3.5 COC(=O)c1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
56948782 143152 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 418 5 0 3 6.7 Fc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccc1C(F)(F)F nan
CHEMBL3895905 143152 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 418 5 0 3 6.7 Fc1cc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)ccc1C(F)(F)F nan
67171863 145929 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 483 6 2 6 5.4 CC(N)(CO)CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
CHEMBL3917997 145929 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 483 6 2 6 5.4 CC(N)(CO)CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
67171242 148620 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 523 5 1 6 6.1 O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3939314 148620 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 523 5 1 6 6.1 O=C(O)[C@H]1CCCN(Cc2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)C1 nan
10125862 11623 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 14 3 3 3.9 CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL118068 11623 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 335 14 3 3 3.9 CCCCCCCCCc1ccc(CNCCC(O)C(=O)O)cc1 10.1016/j.bmcl.2004.04.069
59451845 136753 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 410 7 1 5 4.0 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741022 136753 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 410 7 1 5 4.0 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)C1 10.1021/acs.jmedchem.5b00928
44565703 189530 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 444 9 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL514189 189530 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 444 9 4 5 3.2 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 10.1016/j.bmcl.2009.02.073
44394211 67161 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 14 2 3 5.4 CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 10.1016/j.bmcl.2004.07.049
CHEMBL187645 67161 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 14 2 3 5.4 CCCCCCCCCCCCCCN1CCC(O)(P(C)(=O)O)CC1 10.1016/j.bmcl.2004.07.049
49830919 71989 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 363 6 1 2 4.0 O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1973936 71989 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 363 6 1 2 4.0 O=C(O)C1CN(Cc2ccc(CCc3cccc(C(F)(F)F)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
67509958 124630 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 444 3 2 8 3.8 N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O nan
CHEMBL3640912 124630 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 444 3 2 8 3.8 N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O nan
44394220 67001 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 15 3 2 5.8 CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
CHEMBL186921 67001 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 15 3 2 5.8 CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
53234382 148386 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 431 8 2 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N nan
CHEMBL3937499 148386 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 431 8 2 6 4.3 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CNCCC(=O)O)ccc2-3)cc1C#N nan
57330206 124634 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 542 6 3 9 4.3 O=C(O)C1CC(N[C@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@H]2O)C1 nan
CHEMBL3640916 124634 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 542 6 3 9 4.3 O=C(O)C1CC(N[C@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@H]2O)C1 nan
10215138 14079 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 321 15 3 2 4.6 CCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL119760 14079 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 321 15 3 2 4.6 CCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
50923276 172158 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4473311 172158 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 9 2 8 4.8 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
44413274 138709 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 447 6 2 4 5.7 O=C(O)C1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL377968 138709 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 447 6 2 4 5.7 O=C(O)C1CNC(c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1016/j.bmcl.2006.03.090
2740144 142446 20 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 372 3 0 4 6.2 FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1 10.1021/jm0492507
CHEMBL389012 142446 20 None - 0 Human 7.6 pIC50 = 7.6 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 372 3 0 4 6.2 FC(F)(F)c1sc(-c2nc(-c3ccccc3)no2)cc1-c1ccccc1 10.1021/jm0492507
56949137 150590 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 nan
CHEMBL3955131 150590 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 368 5 0 3 5.9 Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 nan
162650367 180012 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 404 5 1 4 5.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\CCCF 10.1021/acsmedchemlett.8b00616
CHEMBL4747234 180012 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 404 5 1 4 5.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\CCCF 10.1021/acsmedchemlett.8b00616
162650548 180129 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 366 4 1 4 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4748743 180129 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 366 4 1 4 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(C)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
136374640 151259 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 439 3 1 5 6.3 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 nan
CHEMBL3960272 151259 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 439 3 1 5 6.3 Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 nan
162656373 180889 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 388 4 2 5 4.6 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1O 10.1021/acsmedchemlett.8b00616
CHEMBL4757599 180889 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 388 4 2 5 4.6 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1O 10.1021/acsmedchemlett.8b00616
56645405 129981 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 511 7 1 5 6.2 O=C(O)C1CN(Cc2ccc(-c3noc(/C=C/C4(c5ccc(C(F)(F)F)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676130 129981 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 511 7 1 5 6.2 O=C(O)C1CN(Cc2ccc(-c3noc(/C=C/C4(c5ccc(C(F)(F)F)cc5)CCCCC4)n3)cc2)C1 nan
90654199 131146 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 541 7 3 8 4.3 O=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686148 131146 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 541 7 3 8 4.3 O=C(NC[C@@H]1CCCC[C@H]1O)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
44394330 66011 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 14 3 3 5.4 CCCCCCCCCCCCCCC1CC(O)(P(C)(=O)O)CCN1 10.1016/j.bmcl.2004.07.049
CHEMBL183688 66011 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 14 3 3 5.4 CCCCCCCCCCCCCCC1CC(O)(P(C)(=O)O)CCN1 10.1016/j.bmcl.2004.07.049
44394247 122214 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 16 3 2 6.0 CCCCCCCCCCCCCCNC1CCCCC1CP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL359762 122214 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 389 16 3 2 6.0 CCCCCCCCCCCCCCNC1CCCCC1CP(=O)(O)O 10.1016/j.bmcl.2004.07.049
2799937 72014 20 None - 0 Human 7.6 pIC50 = 7.6 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 293 2 1 4 4.3 CC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)o2)cc1 10.1021/jm0503244
CHEMBL197502 72014 20 None - 0 Human 7.6 pIC50 = 7.6 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 293 2 1 4 4.3 CC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)o2)cc1 10.1021/jm0503244
53496460 131126 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 502 8 3 8 3.7 O=C(O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686128 131126 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 502 8 3 8 3.7 O=C(O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
53496344 131139 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 513 7 3 8 4.0 O=C(NCC1CCCN1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686141 131139 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 513 7 3 8 4.0 O=C(NCC1CCCN1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10409838 134182 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 419 10 1 5 5.0 CCCCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL371670 134182 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 419 10 1 5 5.0 CCCCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
56961656 145676 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)ccc1OC(C)C nan
CHEMBL3916072 145676 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)ccc1OC(C)C nan
11725751 12845 5 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.07.049
CHEMBL118860 12845 5 None - 0 Human 8.5 pIC50 = 8.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 14 3 2 4.6 CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.07.049
53495805 131135 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 474 7 3 8 3.2 O=C(NCCO)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686137 131135 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 474 7 3 8 3.2 O=C(NCCO)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10217498 85084 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 481 7 1 4 6.2 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
CHEMBL224571 85084 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 481 7 1 4 6.2 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
44412233 78135 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 405 7 2 5 4.9 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL210352 78135 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 405 7 2 5 4.9 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
56948659 154068 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3984700 154068 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 332 5 0 3 5.6 c1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
56645615 129984 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 475 8 1 5 5.4 O=C(O)C1CN(Cc2ccc(-c3noc(C/C=C/C4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676133 129984 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 475 8 1 5 5.4 O=C(O)C1CN(Cc2ccc(-c3noc(C/C=C/C4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1 nan
46885742 7699 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 495 10 4 6 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C#N)c1 10.1016/j.bmcl.2010.02.098
CHEMBL1088819 7699 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 495 10 4 6 3.6 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(C#N)c1 10.1016/j.bmcl.2010.02.098
11271470 137582 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 475 8 1 4 6.1 CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL375488 137582 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 475 8 1 4 6.1 CCc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
44344193 114910 5 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL334213 114910 5 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
57334004 124642 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 502 6 3 9 3.5 O=C(O)CN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
CHEMBL3640924 124642 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 502 6 3 9 3.5 O=C(O)CN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
10249887 70926 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL195141 70926 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
10476387 127513 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 405 6 1 5 4.5 CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL366181 127513 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 405 6 1 5 4.5 CC(C)(C)Cc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
44344210 13805 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 307 15 3 2 4.1 CCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL119562 13805 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 307 15 3 2 4.1 CCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
44565621 179312 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 428 11 4 6 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL473360 179312 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 428 11 4 6 2.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2cccs2)cc1 10.1016/j.bmcl.2009.02.073
71540499 86575 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 466 8 2 3 6.4 O=C(O)CCc1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
CHEMBL2315822 86575 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 466 8 2 3 6.4 O=C(O)CCc1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
59451770 136897 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 277 8 1 3 2.8 CCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3742304 136897 1 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 277 8 1 3 2.8 CCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
53495534 131133 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 573 8 3 9 4.8 CC(C)(C)OC(=O)NCCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686135 131133 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 573 8 3 9 4.8 CC(C)(C)OC(=O)NCCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
162675931 183276 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 420 4 1 4 5.6 CCC/N=C1\S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4796729 183276 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 420 4 1 4 5.6 CCC/N=C1\S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
117974292 148062 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 395 7 2 7 2.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
CHEMBL3934780 148062 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 395 7 2 7 2.6 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
10287091 10599 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 14 4 3 4.1 CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
CHEMBL117007 10599 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 371 14 4 3 4.1 CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.070
67171587 153093 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 345 2 1 3 4.6 OCc1ccc2c(c1)CCc1c-2noc1-c1cccc(C(F)(F)F)c1 nan
CHEMBL3976201 153093 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 345 2 1 3 4.6 OCc1ccc2c(c1)CCc1c-2noc1-c1cccc(C(F)(F)F)c1 nan
10310952 85119 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 477 8 1 5 5.5 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224800 85119 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 477 8 1 5 5.5 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
56948777 145069 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 400 5 0 3 6.6 FC(F)(F)c1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3911469 145069 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 400 5 0 3 6.6 FC(F)(F)c1cccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
59451870 136657 2 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 277 7 1 3 2.6 CC(C)CCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740090 136657 2 None - 0 Human 5.5 pIC50 = 5.5 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 277 7 1 3 2.6 CC(C)CCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
53496991 131127 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 472 6 1 7 4.6 CCN(C)C(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686129 131127 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 472 6 1 7 4.6 CCN(C)C(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
155527137 171158 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 2 8 5.0 CCCc1c(-c2nc(-c3ccc([C@H](O)CN4CCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4458762 171158 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 502 10 2 8 5.0 CCCc1c(-c2nc(-c3ccc([C@H](O)CN4CCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
44344338 13380 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 369 15 3 2 4.7 CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL119257 13380 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 369 15 3 2 4.7 CCCCCCCc1ccc(CCCCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
44394248 66247 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 361 15 3 2 5.4 CCCCCCCCCCCCCCNC1CCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
CHEMBL184591 66247 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 361 15 3 2 5.4 CCCCCCCCCCCCCCNC1CCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
46872626 215 28 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
9496 215 28 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
CHEMBL3741589 215 28 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 4.1 OC(=O)C1CN(C1)Cc1ccc(cc1)OCc1ccc(c(c1)Cl)Cl 10.1021/acs.jmedchem.5b00928
2926 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/ml100227q
4077460 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/ml100227q
CHEMBL224720 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/ml100227q
2926 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/jm0492507
4077460 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/jm0492507
CHEMBL224720 3593 78 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 10.1021/jm0492507
117974225 151190 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 421 7 2 6 4.3 CCNC1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 nan
CHEMBL3959799 151190 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 421 7 2 6 4.3 CCNC1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 nan
71540398 86140 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 402 11 3 3 4.7 CCCCCCCCc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
CHEMBL2311582 86140 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 402 11 3 3 4.7 CCCCCCCCc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
59451878 136693 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.3 C[C@@H](Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740494 136693 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.3 C[C@@H](Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccccc1 10.1021/acs.jmedchem.5b00928
57334459 124632 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 444 3 2 8 3.8 N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
CHEMBL3640914 124632 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 444 3 2 8 3.8 N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O nan
24957029 8825 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 386 4 1 4 5.2 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL1096872 8825 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 386 4 1 4 5.2 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
162659588 181377 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 380 4 1 5 3.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCOCC1 10.1021/acsmedchemlett.8b00616
CHEMBL4763318 181377 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 380 4 1 5 3.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCOCC1 10.1021/acsmedchemlett.8b00616
53234306 147707 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 379 7 2 5 3.8 CCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1 nan
CHEMBL3932019 147707 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 379 7 2 5 3.8 CCCc1ccc(-c2onc3c2CCc2cc(OC[C@H](O)CO)ccc2-3)cc1 nan
50925335 171554 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4464631 171554 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.2 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
11408903 85124 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 475 7 1 4 6.1 Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
CHEMBL224853 85124 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 475 7 1 4 6.1 Cc1cc(CN2CC(C(=O)O)C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 10.1021/jm0492507
67168742 144759 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 520 5 2 7 5.0 N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 nan
CHEMBL3909064 144759 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 520 5 2 7 5.0 N#CC1(NC(=O)C(O)c2ccc3c(c2)CCc2c-3noc2-c2noc(-c3ccccc3)c2C(F)(F)F)CC1 nan
10127776 11051 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 465 15 3 4 4.9 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL117723 11051 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 465 15 3 4 4.9 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
10127776 11051 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 465 15 3 4 4.9 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1021/jm0492507
CHEMBL117723 11051 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 465 15 3 4 4.9 CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1021/jm0492507
11503967 8019 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 482 10 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL1090796 8019 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 482 10 4 5 3.9 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2010.02.098
10195325 85118 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 1 4 5.9 O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
CHEMBL224799 85118 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 461 7 1 4 5.9 O=C(O)C1CCN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 10.1021/jm0492507
53497142 131129 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 485 6 3 8 3.2 O=C(NC1CNC1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686131 131129 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 485 6 3 8 3.2 O=C(NC1CNC1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
53497143 131130 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 548 6 2 9 3.4 O=C(NC1CCS(=O)(=O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686132 131130 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 548 6 2 9 3.4 O=C(NC1CCS(=O)(=O)C1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
11603220 135179 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 375 6 1 5 3.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CC5)cc4)n3)cc2)C1 10.1021/jm0503244
CHEMBL371985 135179 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 375 6 1 5 3.8 O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CC5)cc4)n3)cc2)C1 10.1021/jm0503244
44412294 138647 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 419 8 2 5 5.3 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL377637 138647 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 419 8 2 5 5.3 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
11510741 189768 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 452 12 4 6 2.9 COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL516035 189768 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 452 12 4 6 2.9 COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1 10.1016/j.bmcl.2009.02.073
10384596 10134 2 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL115713 10134 2 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 371 13 4 3 3.7 CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
71258048 131145 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 520 7 2 8 4.4 O=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686147 131145 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 520 7 2 8 4.4 O=C(NCc1ccccn1)[C@H](O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
44394212 67168 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 373 15 2 2 6.5 CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 10.1016/j.bmcl.2004.07.049
CHEMBL187692 67168 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 373 15 2 2 6.5 CCCCCCCCCCCCCC1CCCC(CCP(C)(=O)O)N1 10.1016/j.bmcl.2004.07.049
10125882 165582 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 337 14 2 2 4.9 CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL424254 165582 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 337 14 2 2 4.9 CCCCCCCCCc1ccc(CNCC(F)CC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
117974087 144937 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 409 7 2 7 2.9 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
CHEMBL3910338 144937 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 409 7 2 7 2.9 COCCOc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1C nan
56948900 146694 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 456 8 0 4 7.3 Fc1ccccc1COc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3923919 146694 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 456 8 0 4 7.3 Fc1ccccc1COc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
59451750 136862 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.1 Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3742033 136862 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.1 Cc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1 10.1021/acs.jmedchem.5b00928
71257879 131144 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 523 7 2 8 4.8 Cn1cccc1CNC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686146 131144 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 523 7 2 8 4.8 Cn1cccc1CNC(=O)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
46872622 72435 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 331 6 1 3 3.4 O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1987998 72435 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 331 6 1 3 3.4 O=C(O)C1CN(Cc2ccc(OCc3ccccc3)cc2Cl)C1 10.1021/acs.jmedchem.5b00928
67459530 131142 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 484 6 2 7 4.8 O=C(NC1CCC1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686144 131142 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 484 6 2 7 4.8 O=C(NC1CCC1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10193676 13737 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 2 2 5.2 CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL119516 13737 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 2 2 5.2 CCCCCCCCCc1ccc(CNCCC(F)(F)C(=O)O)cc1 10.1016/j.bmcl.2004.04.069
59451797 136900 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 335 4 1 2 4.2 O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3742345 136900 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 335 4 1 2 4.2 O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
56644162 129455 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 507 8 2 7 3.4 O=C1NC(=O)C2(CN(Cc3ccc(-c4noc(COCC5(c6ccc(Cl)cc6)CCC5)n4)cc3)C2)N1 nan
CHEMBL3671365 129455 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 507 8 2 7 3.4 O=C1NC(=O)C2(CN(Cc3ccc(-c4noc(COCC5(c6ccc(Cl)cc6)CCC5)n4)cc3)C2)N1 nan
117974195 150506 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 435 6 2 6 3.9 CC(=O)NC1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 nan
CHEMBL3954502 150506 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 435 6 2 6 3.9 CC(=O)NC1(CO)CCc2ccc(-c3nnc(-c4ccc(OC(C)C)c(C)c4)o3)cc2C1 nan
56645407 129982 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 477 7 1 5 5.8 O=C(O)C1CN(Cc2ccc(-c3noc(/C=C/C4(c5ccc(Cl)cc5)CCCCC4)n3)cc2)C1 nan
CHEMBL3676131 129982 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 477 7 1 5 5.8 O=C(O)C1CN(Cc2ccc(-c3noc(/C=C/C4(c5ccc(Cl)cc5)CCCCC4)n3)cc2)C1 nan
117974125 146235 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 379 5 2 6 3.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
CHEMBL3920386 146235 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 379 5 2 6 3.4 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cc1 nan
117974063 147736 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 421 6 1 6 4.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(N(C)C)CC4)o2)ccc1OC(C)C nan
CHEMBL3932290 147736 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 421 6 1 6 4.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(N(C)C)CC4)o2)ccc1OC(C)C nan
117973993 145916 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nc(-c3ccc4c(c3)CCC(N)(CO)C4)no2)ccc1OC(C)C nan
CHEMBL3917907 145916 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nc(-c3ccc4c(c3)CCC(N)(CO)C4)no2)ccc1OC(C)C nan
127037696 136805 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 305 10 1 3 3.6 CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3741496 136805 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 305 10 1 3 3.6 CCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
44394153 66154 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 363 14 3 3 4.3 CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
CHEMBL184237 66154 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 363 14 3 3 4.3 CCCCCCCCCCCCCCN1CCC(O)(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
127037695 136573 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 333 12 1 3 4.3 CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3739440 136573 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 333 12 1 3 4.3 CCCCCCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
117974113 144747 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
CHEMBL3908980 144747 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 392 5 2 6 3.2 Cc1cc(-c2cn(-c3ccc4c(c3)CCC(N)(CO)C4)nn2)ccc1OC(C)C nan
11501764 134397 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 379 7 1 6 3.3 CCOc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
CHEMBL371743 134397 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 379 7 1 6 3.3 CCOc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 10.1021/jm0503244
44344412 13352 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.3 CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL119233 13352 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.3 CCCCCCCc1ccc(CCCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
44413482 166036 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 445 7 2 5 5.0 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
CHEMBL425602 166036 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 445 7 2 5 5.0 O=C(O)C[C@@H]1CN[C@@H](c2ccc(-c3noc(-c4ccc(CCC(F)(F)F)cc4)n3)cc2)C1 10.1016/j.bmcl.2006.03.090
67170110 143762 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 499 4 1 6 5.4 O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 nan
CHEMBL3900885 143762 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 499 4 1 6 5.4 O=C(O)C1CN(c2cc3c(cc2F)-c2noc(-c4onc(-c5ccccc5)c4C(F)(F)F)c2CC3)C1 nan
44412415 78176 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 419 8 2 5 5.3 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL210468 78176 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 419 8 2 5 5.3 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CCC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
11495139 138902 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 405 7 2 5 4.7 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@H](CC(=O)O)CN4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.090
CHEMBL378300 138902 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 405 7 2 5 4.7 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@H](CC(=O)O)CN4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.090
56644792 129978 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 482 8 2 6 5.7 Cc1cc(-c2noc(/C=C/C3(c4ccc(Cl)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO nan
CHEMBL3676127 129978 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 482 8 2 6 5.7 Cc1cc(-c2noc(/C=C/C3(c4ccc(Cl)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO nan
50923427 174120 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 500 7 2 8 4.1 O=C(O)C1CN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
CHEMBL4545842 174120 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 500 7 2 8 4.1 O=C(O)C1CN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1 10.1021/acs.jmedchem.6b00373
44394149 124025 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 377 15 3 3 4.5 CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
CHEMBL363008 124025 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 377 15 3 3 4.5 CCCCCCCCCCCCCCN1CCC(C(O)P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
162658479 181019 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 400 3 1 5 4.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C1COC1 10.1021/acsmedchemlett.8b00616
CHEMBL4759157 181019 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 400 3 1 5 4.2 Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\C1COC1 10.1021/acsmedchemlett.8b00616
46885696 8018 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 527 11 5 6 3.1 CNC(=O)c1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL1090782 8018 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 527 11 5 6 3.1 CNC(=O)c1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
162669820 182689 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 402 5 1 5 4.5 COCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4789340 182689 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 402 5 1 5 4.5 COCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
59451739 136723 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.1 Cc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740768 136723 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 311 6 1 3 3.1 Cc1ccccc1COc1ccc(CN2CC(C(=O)O)C2)cc1 10.1021/acs.jmedchem.5b00928
24744028 86571 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 404 12 3 4 4.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
CHEMBL2315818 86571 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 404 12 3 4 4.2 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
54582607 62457 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of S1P1 receptorInhibition of S1P1 receptor
ChEMBL 375 3 2 3 5.8 Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
CHEMBL1779895 62457 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Inhibition of S1P1 receptorInhibition of S1P1 receptor
ChEMBL 375 3 2 3 5.8 Cc1cc(O)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
57335512 124636 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 584 7 3 9 5.5 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCCCC1 nan
CHEMBL3640918 124636 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 584 7 3 9 5.5 O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCCCC1 nan
67167733 151812 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 402 6 1 4 4.6 CCCc1ccc(-c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
CHEMBL3965275 151812 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 402 6 1 4 4.6 CCCc1ccc(-c2noc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1 nan
53235481 151140 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3959509 151140 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 495 5 1 6 5.3 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
76401562 124638 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 556 5 2 9 4.7 O=C(O)C1CCCN([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
CHEMBL3640920 124638 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 556 5 2 9 4.7 O=C(O)C1CCCN([C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
10271422 9935 1 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranesDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL114584 9935 1 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranesDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
11224984 8715 23 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
CHEMBL1095833 8715 23 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P1 receptor expressed in HEK cells by scintillation counting
ChEMBL 460 8 2 6 4.3 CCC/N=C1\S/C(=C\c2ccc(OC[C@@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C 10.1021/jm100181s
46885745 8408 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 484 10 4 5 4.0 Cc1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
CHEMBL1093424 8408 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 484 10 4 5 4.0 Cc1cc(NC(=O)[C@@](C)(N)COP(=O)(O)O)ccc1OCCc1ccc(-c2ccccc2)cc1 10.1016/j.bmcl.2010.02.098
44344413 110543 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.3 CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL325193 110543 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 14 3 2 4.3 CCCCCCCCc1ccc(CCNCCCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
46885797 8028 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F 10.1016/j.bmcl.2010.02.098
CHEMBL1090828 8028 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 538 10 4 5 4.8 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)cc1C(F)(F)F 10.1016/j.bmcl.2010.02.098
76401564 124641 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 570 6 3 9 5.1 O=C(O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
CHEMBL3640923 124641 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 570 6 3 9 5.1 O=C(O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
44344404 11359 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 349 18 3 2 5.2 CCCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL117973 11359 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 349 18 3 2 5.2 CCCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
53234380 152412 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
CHEMBL3970572 152412 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 486 6 1 5 5.4 CC(C)Oc1ccc(-c2onc3c2CCc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1C(F)(F)F nan
53496859 131125 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 510 7 3 8 4.2 O=C(NCc1ncc[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686127 131125 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 510 7 3 8 4.2 O=C(NCc1ncc[nH]1)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
137370351 193001 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 382 6 1 5 4.3 OCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5205276 193001 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 382 6 1 5 4.3 OCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5222733 193001 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 382 6 1 5 4.3 OCc1ccc(-c2noc(-c3ccc(OCCF)c(C(F)(F)F)c3)n2)cc1 10.1021/acs.jmedchem.1c01571
10287034 66181 3 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 367 11 2 2 4.7 CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 10.1021/jm0492507
CHEMBL184349 66181 3 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 367 11 2 2 4.7 CCCCCCCCCc1ccc(CN2CCC(P(=O)(O)O)C2)cc1 10.1021/jm0492507
44565715 180441 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 498 12 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
CHEMBL475253 180441 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 498 12 4 5 4.5 C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCc2ccc(-c3ccccc3)cc2)cc1 10.1016/j.bmcl.2009.02.073
44394279 67148 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 16 3 2 5.8 CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 10.1016/j.bmcl.2004.07.049
CHEMBL187588 67148 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 16 3 2 5.8 CCCCCCCCCCCCCC[C@H]1CC[C@H](CCP(=O)(O)O)N1 10.1016/j.bmcl.2004.07.049
68192027 152110 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 511 5 1 7 5.0 OCC1COCCN1Cc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
CHEMBL3967775 152110 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 511 5 1 7 5.0 OCC1COCCN1Cc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F nan
107970 1637 83 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/acs.jmedchem.1c01571
2407 1637 83 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/acs.jmedchem.1c01571
4167 1637 83 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/acs.jmedchem.1c01571
CHEMBL314854 1637 83 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/acs.jmedchem.1c01571
DB08868 1637 83 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of S1PR1 (unknown origin)Inhibition of S1PR1 (unknown origin)
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/acs.jmedchem.1c01571
117974291 152445 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 380 5 2 7 2.8 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cn1 nan
CHEMBL3970848 152445 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 380 5 2 7 2.8 CC(C)Oc1ccc(-c2nnc(-c3ccc4c(c3)CC(N)(CO)CC4)o2)cn1 nan
56949136 152242 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 472 8 0 4 7.8 Clc1ccc(COc2ccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)cc2)cc1 nan
CHEMBL3968946 152242 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 472 8 0 4 7.8 Clc1ccc(COc2ccc(-c3noc(CCC4(c5ccccc5)CCCCC4)n3)cc2)cc1 nan
117983355 147338 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 367 4 2 8 1.9 NC1(CO)CCc2cc(-c3nc(-c4ccnc([N+](=O)[O-])c4)no3)ccc2C1 nan
CHEMBL3929297 147338 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 367 4 2 8 1.9 NC1(CO)CCc2cc(-c3nc(-c4ccnc([N+](=O)[O-])c4)no3)ccc2C1 nan
59451743 136775 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 361 7 1 4 3.4 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl 10.1021/acs.jmedchem.5b00928
CHEMBL3741222 136775 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 361 7 1 4 3.4 COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1Cl 10.1021/acs.jmedchem.5b00928
162648099 179900 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 402 5 1 5 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1OC 10.1021/acsmedchemlett.8b00616
CHEMBL4745979 179900 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 402 5 1 5 4.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccccc1OC 10.1021/acsmedchemlett.8b00616
76401561 124633 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 598 7 2 10 5.6 CCOC(=O)C1CCCC(N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
CHEMBL3640915 124633 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 598 7 2 10 5.6 CCOC(=O)C1CCCC(N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 nan
162658733 181113 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 336 4 1 4 3.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CC1 10.1021/acsmedchemlett.8b00616
CHEMBL4760357 181113 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 336 4 1 4 3.9 CCC/N=C1\S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CC1 10.1021/acsmedchemlett.8b00616
10312 1293 27 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of S1P1 receptorInhibition of S1P1 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
53358422 1293 27 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of S1P1 receptorInhibition of S1P1 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
CHEMBL1779732 1293 27 None - 0 Human 5.2 pIC50 = 5.2 Binding
Inhibition of S1P1 receptorInhibition of S1P1 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
59451813 136685 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 295 5 1 2 3.4 CCc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3740359 136685 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 295 5 1 2 3.4 CCc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 10.1021/acs.jmedchem.5b00928
56949142 152360 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 349 5 0 4 4.2 [O-][n+]1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
CHEMBL3970046 152360 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 349 5 0 4 4.2 [O-][n+]1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1 nan
21455530 10140 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 363 19 3 2 5.6 CCCCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL115738 10140 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 363 19 3 2 5.6 CCCCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
50923273 174443 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4553546 174443 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 516 10 2 8 5.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
9824415 110554 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 437 13 3 4 4.1 CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
CHEMBL325247 110554 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 437 13 3 4 4.1 CCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC 10.1016/j.bmcl.2004.04.070
11752659 166142 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 515 7 1 4 6.8 O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
CHEMBL426191 166142 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 515 7 1 4 6.8 O=C(O)C1CN(Cc2cc(Cl)c(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(Cl)c2)C1 10.1021/jm0492507
10236683 168089 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 319 14 2 2 4.9 CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL432632 168089 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 319 14 2 2 4.9 CCCCCCCCCc1ccc(CNCCCC(=O)O)cc1 10.1016/j.bmcl.2004.04.069
137638716 156972 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 305 13 2 2 4.5 CCCCCCCCc1ccc(CNCCCC(=O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL4072987 156972 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 305 13 2 2 4.5 CCCCCCCCc1ccc(CNCCCC(=O)O)cc1 10.1021/acs.jmedchem.6b01575
11168252 85082 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 515 7 1 4 6.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 10.1021/jm0492507
CHEMBL224549 85082 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 515 7 1 4 6.5 O=C(O)C1CN(Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)c(C(F)(F)F)c2)C1 10.1021/jm0492507
44565716 179741 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 493 10 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
CHEMBL474418 179741 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptorDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor
ChEMBL 493 10 4 5 4.6 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)cc2)c[nH]1 10.1016/j.bmcl.2009.02.073
44413430 138767 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 405 7 2 5 4.7 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.090
CHEMBL378061 138767 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]S1P from human S1P1 receptor expressed in CHO cells
ChEMBL 405 7 2 5 4.7 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4C[C@@H](CC(=O)O)CN4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.090
10125714 110515 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 319 13 2 2 4.7 CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
CHEMBL325050 110515 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells
ChEMBL 319 13 2 2 4.7 CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 10.1016/j.bmcl.2010.01.118
10125714 110515 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 319 13 2 2 4.7 CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL325050 110515 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 319 13 2 2 4.7 CCCCCCCCc1ccc(CCC(N)CCC(=O)O)cc1 10.1016/j.bmcl.2004.02.106
59451753 136905 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 281 4 1 2 3.2 Cc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 10.1021/acs.jmedchem.5b00928
CHEMBL3742384 136905 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 281 4 1 2 3.2 Cc1ccc(-c2ccc(CN3CC(C(=O)O)C3)cc2)cc1 10.1021/acs.jmedchem.5b00928
11501417 86570 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 362 12 3 4 3.7 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)/C=C/C(=O)O)cc1 10.1016/j.bmcl.2012.11.053
CHEMBL2315817 86570 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 362 12 3 4 3.7 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)/C=C/C(=O)O)cc1 10.1016/j.bmcl.2012.11.053
117973993 145916 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nc(-c3ccc4c(c3)CCC(N)(CO)C4)no2)ccc1OC(C)C nan
CHEMBL3917907 145916 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 393 5 2 6 3.7 Cc1cc(-c2nc(-c3ccc4c(c3)CCC(N)(CO)C4)no2)ccc1OC(C)C nan
44412221 77108 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 391 6 2 5 4.5 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL207580 77108 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 391 6 2 5 4.5 CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
58907531 86569 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 364 13 3 4 3.9 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CCC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
CHEMBL2315816 86569 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 364 13 3 4 3.9 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CCC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
4107292 137005 1 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 440 3 0 4 7.5 FC(F)(F)c1sc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1-c1ccccc1 10.1021/jm0492507
CHEMBL374614 137005 1 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 440 3 0 4 7.5 FC(F)(F)c1sc(-c2nc(-c3ccc(Cl)cc3Cl)no2)cc1-c1ccccc1 10.1021/jm0492507
24957033 180077 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 352 4 1 4 4.6 CCC/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
CHEMBL4748038 180077 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Immunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assayImmunomodulatory activity at human S1PR1 expressed in CHO-K1 EDG1 beta-arrestin cells assessed as stimulation of beta-arrestin recruitment incubated for 90 mins at 37 degC followed by incubated for 15 mins in room temperature by pathhunter beta-arrestin assay
ChEMBL 352 4 1 4 4.6 CCC/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1C 10.1021/acsmedchemlett.8b00616
44412282 78294 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 405 7 2 5 4.9 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
CHEMBL210785 78294 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from S1P1 expressed in CHO cellsDisplacement of [33P]S1P from S1P1 expressed in CHO cells
ChEMBL 405 7 2 5 4.9 CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)N4)cc3)no2)cc1 10.1016/j.bmcl.2006.03.038
56949019 145993 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 392 7 0 5 5.6 COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
CHEMBL3918461 145993 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 392 7 0 5 5.6 COc1ccc(OC)c(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c1 nan
11696807 125955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 10.1021/jm0503244
CHEMBL364899 125955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Concentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cellsConcentration required for displacement of [33P]-labeled S1P from human sphingosine 1-phosphate receptor 1 expressed in CHO cells
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 10.1021/jm0503244
11696807 125955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 10.1021/ml100227q
CHEMBL364899 125955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]S1P from human S1P1R expressed in CHO cell membranesDisplacement of [33P]S1P from human S1P1R expressed in CHO cell membranes
ChEMBL 391 5 1 5 4.2 CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 10.1021/ml100227q
10174255 85215 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1021/jm0492507
CHEMBL225575 85215 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 485 6 1 6 5.7 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 10.1021/jm0492507
10172338 110545 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
CHEMBL325198 110545 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.04.069
137655932 158955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CC[C@@H](N)CCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
CHEMBL4095976 158955 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranesDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CC[C@@H](N)CCP(=O)(O)O)cc1 10.1021/acs.jmedchem.6b01575
10172338 110545 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL325198 110545 3 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 355 13 3 2 4.4 CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
53495804 131134 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 457 6 2 7 3.8 CCNC(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686136 131134 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 457 6 2 7 3.8 CCNC(=O)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
10271422 9935 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL114584 9935 1 None - 0 Human 8.1 pIC50 = 8.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
25008421 86573 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 495 8 3 4 6.0 C[C@](N)(CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
CHEMBL2315820 86573 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 495 8 3 4 6.0 C[C@](N)(CC(=O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2012.11.053
44394220 67001 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 15 3 2 5.8 CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
CHEMBL186921 67001 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 15 3 2 5.8 CCCCCCCCCCCCCCNC1CCCC(P(=O)(O)O)C1 10.1016/j.bmcl.2004.07.049
49830828 71813 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 4.1 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL1968499 71813 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 365 6 1 3 4.1 O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 10.1021/acs.jmedchem.5b00928
107970 1637 83 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/jm0492507
2407 1637 83 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/jm0492507
4167 1637 83 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/jm0492507
CHEMBL314854 1637 83 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/jm0492507
DB08868 1637 83 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P1 receptor expressed in CHO cells
ChEMBL 307 12 3 3 3.2 CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N 10.1021/jm0492507
44344446 114819 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 349 17 3 2 5.4 CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
CHEMBL334144 114819 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand
ChEMBL 349 17 3 2 5.4 CCCCCCCCCCCCCCCC(N)CCP(=O)(O)O 10.1016/j.bmcl.2004.04.069
117974183 146621 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 471 7 2 7 3.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(NS(C)(=O)=O)CC4)o2)ccc1OC(C)C nan
CHEMBL3923347 146621 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.GTPγS Binding Assay: Test method: wetting membranes by saponin solution, and preparing [35S]-GTPγS in binding solution (4×). The test compound was prepared as 4× of the final concentration which was then performed serial 3× dilution in 100% DMSO. Membranes with high-expressed S1P1 were collected in 5 ml binding buffer, and 50 μL was added to 96-well (containing 5 μg membrane protein with high-expressed S1P1). 25 μL, test compound was added in each well. The compound was incubated with the membranes for 30 min at room temperature, then 25 μL [35S]-GTPγS was added, and the experiment was initiated. The 96-well detection plate was incubated for 1 hour at room temperature, filtered by filtermat B, and washed with washing solution for three times. After the plate was dried for 1 h at 50° C., 8 ml scintillator solution was added and counted using scintillation counter.
ChEMBL 471 7 2 7 3.3 Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(NS(C)(=O)=O)CC4)o2)ccc1OC(C)C nan
66692601 129985 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 448 8 1 7 3.3 O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5cccnc5)CCOCC4)n3)cc2)C1 nan
CHEMBL3676134 129985 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 448 8 1 7 3.3 O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5cccnc5)CCOCC4)n3)cc2)C1 nan
44394169 66681 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 16 2 2 5.7 CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL185447 66681 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 1 expressed on CHO cell membranes
ChEMBL 375 16 2 2 5.7 CCCCCCCCCCCCCCN1CCCC1CCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
50923423 174453 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 503 9 3 9 3.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCNC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
CHEMBL4553920 174453 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodDisplacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method
ChEMBL 503 9 3 9 3.4 CCCc1c(-c2nc(-c3ccc(C(O)CN4CCNC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1 10.1021/acs.jmedchem.6b00373
46885798 8029 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 561 10 4 5 5.7 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
CHEMBL1090829 8029 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Displacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation countingDisplacement of [33P]sphingosine-1-phosphate from human S1P1 receptor expressed in HEK293T cells after 60 mins by scintillation counting
ChEMBL 561 10 4 5 5.7 C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1 10.1016/j.bmcl.2010.02.098
56646205 129987 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 485 9 1 6 4.7 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(Cl)cc5)CCC4)n3)c(F)c2)C1 nan
CHEMBL3676136 129987 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -800C after protein concentration determination. Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature.
ChEMBL 485 9 1 6 4.7 O=C(O)C1CN(Cc2ccc(-c3noc(COCC4(c5ccc(Cl)cc5)CCC4)n3)c(F)c2)C1 nan
53496993 131128 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 605 10 3 8 5.0 CNC(=O)[C@H](CCc1ccccc1)NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
CHEMBL3686130 131128 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells were dissociated in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 G) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at −80° C. after protein concentration determination. Membranes (2 μg/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) were added to the compound plates. Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto GF/B filter plates, and radioactivity was measured by TOPCOUNT®. The competition data of the test compounds over a range of concentrations was plotted as percentage inhibition of radioligand specific binding.
ChEMBL 605 10 3 8 5.0 CNC(=O)[C@H](CCc1ccccc1)NC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 nan
58907658 86568 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 350 13 3 4 3.6 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
CHEMBL2315815 86568 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 350 13 3 4 3.6 CCCCCCCCOc1ccc(NC(=O)[C@@H](N)CCC(=O)O)cc1 10.1016/j.bmcl.2012.11.053
67171391 151713 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 nan
CHEMBL3964377 151713 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 428 4 1 4 4.6 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3noc2-c2cccc(C(F)(F)F)c2)C1 nan
66923349 86572 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 418 12 3 4 4.6 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
CHEMBL2315819 86572 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysisDisplacement of [33P]S1P from human S1P1 receptor expressed in HEK293T cells after 1 hr by liquid scintillation counting analysis
ChEMBL 418 12 3 4 4.6 CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(=O)O)cc1C(F)(F)F 10.1016/j.bmcl.2012.11.053
56949138 144399 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 333 5 0 4 5.0 c1ccc(C2(CCc3nc(-c4ccccn4)no3)CCCCC2)cc1 nan
CHEMBL3906056 144399 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.null: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 Owen in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes onto 384-well.
ChEMBL 333 5 0 4 5.0 c1ccc(C2(CCc3nc(-c4ccccn4)no3)CCCCC2)cc1 nan
67169024 151771 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
CHEMBL3964923 151771 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.Binding Assay: Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1^108cells/pellet) were suspended in buffer containing 20 mM HEPES, pH 7.5, 50 mM NaCl, 2 mM EDTA and Protease Inhibitor cocktail (Roche), and disrupted on ice using the Polytron homogenizer. The homogenate was centrifuged at 20,000 rpm (48,000 g) and the supernatant was discarded. The membrane pellets were resuspended in buffer containing 50 mM HEPES, pH 7.5, 100 mM NaCl, 1 mM MgCl2, 2 mM EDTA and stored in aliquots at -80° C. after protein concentration determination.Membranes (2 ug/well) and 0.03 nM final concentration of 33P-S1P ligand (1 mCi/ml, American Radiolabeled Chemicals) diluted in assay buffer (50 mM HEPES, pH7.4, 5 mM MgCl2, 1 mM CaCl2, 0.5% fatty acid free BSA, 1 mM NaF) were added to the compound plates (384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Binding was performed for 45 minutes at room temperature, terminated by collecting the membranes.
ChEMBL 494 5 2 5 5.0 O=C(O)C1CN(Cc2ccc3c(c2)CCc2c-3n[nH]c2-c2onc(-c3ccccc3)c2C(F)(F)F)C1 nan
59451867 136787 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 335 4 1 2 4.2 O=C(O)C1CN(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
CHEMBL3741338 136787 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Displacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB methodDisplacement of [33P]S1P from S1P1 receptor (unknown origin) expressed in HEK cell membranes after 45 to 60 mins by scintillation counting based RLB method
ChEMBL 335 4 1 2 4.2 O=C(O)C1CN(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 10.1021/acs.jmedchem.5b00928
71450073 82587 0 None - 1 Human 9.2 pKd = 9.2 Binding
Competitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysisCompetitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysis
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
CHEMBL2178814 82587 0 None - 1 Human 9.2 pKd = 9.2 Binding
Competitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysisCompetitive binding affinity to human S1P1R receptor expressed in CHO cell membranes by Schild plot analysis
ChEMBL 585 10 2 5 5.5 Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl 10.1021/jm3009508
66795236 132845 0 None - 1 Human 10.0 pKi = 10 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 465 9 1 8 3.8 COCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701824 132845 0 None - 1 Human 10.0 pKi = 10 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 465 9 1 8 3.8 COCCc1c(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cnn1C1CCCCC1 nan
46829720 127496 0 None - 1 Human 9.6 pKi = 9.6 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 483 8 1 6 5.4 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)ccc1-c1ccccc1C nan
CHEMBL3661077 127496 0 None - 1 Human 9.6 pKi = 9.6 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 483 8 1 6 5.4 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)ccc1-c1ccccc1C nan
46829719 127497 0 None - 1 Human 9.3 pKi = 9.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 493 5 1 5 5.8 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F nan
CHEMBL3661078 127497 0 None - 1 Human 9.3 pKi = 9.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 493 5 1 5 5.8 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F nan
46829700 127500 0 None - 1 Human 9.2 pKi = 9.2 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 507 6 1 5 6.2 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F nan
CHEMBL3661081 127500 0 None - 1 Human 9.2 pKi = 9.2 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 507 6 1 5 6.2 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F nan
66795366 132846 0 None - 1 Human 9.2 pKi = 9.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 505 7 1 8 5.3 O=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCCO4)n3)cc2)CC1 nan
CHEMBL3701825 132846 0 None - 1 Human 9.2 pKi = 9.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 505 7 1 8 5.3 O=C(O)C1CCN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCCO4)n3)cc2)CC1 nan
11502996 158725 42 None -1 4 Human 9.2 pKi = 9.2 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4093489 158725 42 None -1 4 Human 9.2 pKi = 9.2 Binding
Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from human S1P1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
46829766 127491 0 None - 1 Human 9.2 pKi = 9.2 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 469 7 1 6 5.0 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)ccc1-c1ccccc1C nan
CHEMBL3661072 127491 0 None - 1 Human 9.2 pKi = 9.2 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 469 7 1 6 5.0 COCc1cc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)ccc1-c1ccccc1C nan
49835335 132838 0 None - 1 Human 9.2 pKi = 9.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 491 7 1 8 4.5 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)C1 nan
CHEMBL3701818 132838 0 None - 1 Human 9.2 pKi = 9.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 491 7 1 8 4.5 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4C4CCOCC4)n3)cc2)C1 nan
46829702 127498 0 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 514 6 1 6 5.6 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F nan
CHEMBL3661079 127498 0 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 514 6 1 6 5.6 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CC4)no2)cc1C(F)(F)F nan
11502996 158725 42 None -1 4 Rat 9.1 pKi = 9.1 Binding
Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
CHEMBL4093489 158725 42 None -1 4 Rat 9.1 pKi = 9.1 Binding
Displacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from rat S1P1 receptor after 60 mins by scintillation counting method
ChEMBL 435 9 1 4 5.0 CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 10.1021/acs.jmedchem.7b00785
46829845 127489 1 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 399 3 1 6 4.3 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C#N nan
CHEMBL3661070 127489 1 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 399 3 1 6 4.3 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C#N nan
46829701 127499 0 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 500 5 1 6 5.2 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F nan
CHEMBL3661080 127499 0 None - 1 Human 9.1 pKi = 9.1 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 500 5 1 6 5.2 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)O)CC4)no2)cc1C(F)(F)F nan
59495631 157251 0 None 1318 2 Human 9.1 pKi = 9.1 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assayDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
ChEMBL 430 8 1 6 5.0 COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C 10.1021/acs.jmedchem.6b01575
CHEMBL4076530 157251 0 None 1318 2 Human 9.1 pKi = 9.1 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assayDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
ChEMBL 430 8 1 6 5.0 COCc1cc(-c2nc(-c3cccc(OCC(=O)O)c3)no2)ccc1-c1ccccc1C 10.1021/acs.jmedchem.6b01575
49835393 132842 0 None - 1 Human 9.1 pKi = 9.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 479 9 2 8 4.6 O=C(O)CCNCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCOCC3)n2)cc1 nan
CHEMBL3701821 132842 0 None - 1 Human 9.1 pKi = 9.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 479 9 2 8 4.6 O=C(O)CCNCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCOCC3)n2)cc1 nan
46829767 127490 0 None - 1 Human 9.0 pKi = 9 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 411 5 1 5 5.2 COCc1cc(-c2nc(-c3ccc4c(c3)CNCC4)no2)ccc1-c1ccccc1C nan
CHEMBL3661071 127490 0 None - 1 Human 9.0 pKi = 9 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 411 5 1 5 5.2 COCc1cc(-c2nc(-c3ccc4c(c3)CNCC4)no2)ccc1-c1ccccc1C nan
25256387 132715 0 None - 1 Human 9.0 pKi = 9 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 412 5 0 7 4.8 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1 nan
CHEMBL3699119 132715 0 None - 1 Human 9.0 pKi = 9 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 412 5 0 7 4.8 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c([N+](=O)[O-])c2)n1 nan
25222742 132723 0 None - 1 Human 9.0 pKi = 9 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 421 4 0 5 5.6 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 nan
CHEMBL3699127 132723 0 None - 1 Human 9.0 pKi = 9 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 421 4 0 5 5.6 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 nan
46829699 127501 0 None - 1 Human 9.0 pKi = 9.0 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 483 8 1 6 5.4 COCc1cc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)ccc1-c1ccccc1C nan
CHEMBL3661082 127501 0 None - 1 Human 9.0 pKi = 9.0 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 483 8 1 6 5.4 COCc1cc(-c2nc(-c3ccc4c(c3)CCN(CCC(=O)O)C4)no2)ccc1-c1ccccc1C nan
49835392 132841 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 456 8 1 8 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cnn(CC5CC5)c4-c4ccncc4)n3)cc2)C1 nan
CHEMBL3701820 132841 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 456 8 1 8 3.6 O=C(O)C1CN(Cc2ccc(-c3noc(-c4cnn(CC5CC5)c4-c4ccncc4)n3)cc2)C1 nan
25255874 124470 0 None - 1 Human 6.0 pKi = 6.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 335 4 0 5 4.4 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1 nan
CHEMBL3639979 124470 0 None - 1 Human 6.0 pKi = 6.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 335 4 0 5 4.4 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1 nan
46829741 127494 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 366 3 1 4 5.6 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C nan
CHEMBL3661075 127494 0 None - 1 Human 8.0 pKi = 8.0 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 366 3 1 4 5.6 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C nan
25255872 132704 0 None - 1 Human 8.0 pKi = 8.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 7 4.3 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 nan
CHEMBL3699108 132704 0 None - 1 Human 8.0 pKi = 8.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 7 4.3 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 nan
66803537 132858 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 8 1 7 4.3 COCc1c(-c2nc(-c3cccc(CCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701837 132858 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 8 1 7 4.3 COCc1c(-c2nc(-c3cccc(CCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
66795700 132847 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 454 11 1 8 4.6 COCc1c(-c2nc(-c3ccc(COCCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701826 132847 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 454 11 1 8 4.6 COCc1c(-c2nc(-c3ccc(COCCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
66795582 132848 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.5 COCc1c(-c2nc(-c3ccc(OCCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701827 132848 0 None - 1 Human 6.9 pKi = 6.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.5 COCc1c(-c2nc(-c3ccc(OCCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
49835584 132576 0 None - 1 Human 7.9 pKi = 7.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 414 4 0 5 5.8 Cc1ccccc1-n1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
CHEMBL3698528 132576 0 None - 1 Human 7.9 pKi = 7.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 414 4 0 5 5.8 Cc1ccccc1-n1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
66795374 132577 0 None - 1 Human 7.9 pKi = 7.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 418 4 0 5 5.7 Fc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1 nan
CHEMBL3698529 132577 0 None - 1 Human 7.9 pKi = 7.9 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 418 4 0 5 5.7 Fc1ccc(-n2ncc(-c3nc(-c4cc(F)ccc4F)no3)c2-c2ccccc2)cc1 nan
25256179 132707 0 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 356 4 0 4 5.7 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 nan
CHEMBL3699111 132707 0 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 356 4 0 4 5.7 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 nan
25256182 132709 0 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 464 4 0 4 7.3 Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1ccccc1C(F)(F)F nan
CHEMBL3699113 132709 0 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 464 4 0 4 7.3 Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1ccccc1C(F)(F)F nan
46829809 127492 1 None - 1 Human 6.8 pKi = 6.8 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 451 5 2 6 4.6 CC1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1NS(C)(=O)=O nan
CHEMBL3661073 127492 1 None - 1 Human 6.8 pKi = 6.8 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 451 5 2 6 4.6 CC1CCCCN1c1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1NS(C)(=O)=O nan
16016024 66951 9 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 382 5 0 8 3.2 COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 nan
CHEMBL1866775 66951 9 None - 1 Human 7.8 pKi = 7.8 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 382 5 0 8 3.2 COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1 nan
66803496 132855 0 None - 1 Human 6.8 pKi = 6.8 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.2 COCc1c(-c2nc(-c3cccc(COCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701834 132855 0 None - 1 Human 6.8 pKi = 6.8 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.2 COCc1c(-c2nc(-c3cccc(COCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
66803535 132856 0 None - 1 Human 6.7 pKi = 6.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 408 7 1 7 4.4 COCc1c(-c2nc(-c3cccc(/C=C/C(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701835 132856 0 None - 1 Human 6.7 pKi = 6.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 408 7 1 7 4.4 COCc1c(-c2nc(-c3cccc(/C=C/C(=O)O)c3)no2)cnn1C1CCCCC1 nan
25256287 132711 0 None - 1 Human 8.7 pKi = 8.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 387 5 0 6 5.3 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1 nan
CHEMBL3699115 132711 0 None - 1 Human 8.7 pKi = 8.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 387 5 0 6 5.3 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c([N+](=O)[O-])c2)n1 nan
25255172 132722 0 None - 1 Human 8.7 pKi = 8.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 416 4 0 5 6.5 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C(F)(F)F)c2)n1 nan
CHEMBL3699126 132722 0 None - 1 Human 8.7 pKi = 8.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 416 4 0 5 6.5 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C(F)(F)F)c2)n1 nan
49835490 132844 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 394 5 1 7 4.4 OCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCCO3)n2)cc1 nan
CHEMBL3701823 132844 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 394 5 1 7 4.4 OCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3C3CCCO3)n2)cc1 nan
49835536 132850 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cc(-c2c(-c3nc(-c4ccc(Cn5ccnc5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701829 132850 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cc(-c2c(-c3nc(-c4ccc(Cn5ccnc5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
49835536 132850 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cc(-c2c(-c3nc(-c4ccc(Cn5ccnc5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701829 132850 0 None - 1 Human 8.7 pKi = 8.7 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cc(-c2c(-c3nc(-c4ccc(Cn5ccnc5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
49835216 132836 0 None - 1 Human 8.6 pKi = 8.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 458 8 1 8 3.8 CC(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1-c1ccncc1 nan
CHEMBL3701816 132836 0 None - 1 Human 8.6 pKi = 8.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 458 8 1 8 3.8 CC(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1-c1ccncc1 nan
137644547 158037 0 None 758 2 Human 8.5 pKi = 8.5 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assayDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
ChEMBL 494 7 1 5 7.0 COCc1cc(-c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)cc3)no2)ccc1-c1ccccc1C 10.1021/acs.jmedchem.6b01575
CHEMBL4085783 158037 0 None 758 2 Human 8.5 pKi = 8.5 Binding
Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assayDisplacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay
ChEMBL 494 7 1 5 7.0 COCc1cc(-c2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)cc3)no2)ccc1-c1ccccc1C 10.1021/acs.jmedchem.6b01575
25256288 132712 0 None - 1 Human 7.7 pKi = 7.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 334 4 0 4 5.5 COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 nan
CHEMBL3699116 132712 0 None - 1 Human 7.7 pKi = 7.7 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 334 4 0 4 5.5 COc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 nan
66803650 132832 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 6 0 7 4.1 CCOC(=O)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
CHEMBL3701812 132832 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 6 0 7 4.1 CCOC(=O)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
25256290 132714 0 None - 1 Human 7.6 pKi = 7.6 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 388 4 0 4 6.4 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 nan
CHEMBL3699118 132714 0 None - 1 Human 7.6 pKi = 7.6 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 388 4 0 4 6.4 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(C3CCCCC3)cc2)n1 nan
66803660 132852 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 368 6 1 7 3.7 COCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701831 132852 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 368 6 1 7 3.7 COCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1 nan
66803732 132854 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 468 12 1 9 4.1 COCc1c(-c2nc(-c3cccc(COCCCC(=O)CO)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701833 132854 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 468 12 1 9 4.1 COCc1c(-c2nc(-c3cccc(COCCCC(=O)CO)c3)no2)cnn1C1CCCCC1 nan
66803563 132860 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 9 2 8 3.5 COCc1c(-c2nc(-c3cccc(C(=O)NCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701839 132860 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 9 2 8 3.5 COCc1c(-c2nc(-c3cccc(C(=O)NCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
49835534 132574 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 368 5 0 6 4.0 COCc1c(-c2nc(-c3cc(F)ccc3F)no2)cnn1-c1ccccc1 nan
CHEMBL3698526 132574 0 None - 1 Human 6.6 pKi = 6.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 368 5 0 6 4.0 COCc1c(-c2nc(-c3cc(F)ccc3F)no2)cnn1-c1ccccc1 nan
66803669 132864 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 495 7 1 9 5.1 O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
CHEMBL3701843 132864 0 None - 1 Human 7.6 pKi = 7.6 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 495 7 1 9 5.1 O=C(O)c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
46829844 127487 1 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 442 3 1 5 5.4 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C(F)(F)F nan
CHEMBL3661068 127487 1 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 442 3 1 5 5.4 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1C(F)(F)F nan
46829740 127493 2 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 388 4 1 6 5.3 COc1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)ccc1-c1cscc1C nan
CHEMBL3661074 127493 2 None - 1 Human 8.5 pKi = 8.5 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 388 4 1 6 5.3 COc1cc(-c2nc(-c3ccc4[nH]ncc4c3)no2)ccc1-c1cscc1C nan
25256286 132710 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 362 4 0 5 5.8 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1 nan
CHEMBL3699114 132710 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 362 4 0 5 5.8 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(C)c2)n1 nan
25255176 132718 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 417 4 0 5 5.8 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3C)c(C(F)(F)F)c2)n1 nan
CHEMBL3699122 132718 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 417 4 0 5 5.8 COc1ccccc1-c1noc(-c2ccc(N3CCCCC3C)c(C(F)(F)F)c2)n1 nan
25255275 132727 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 435 4 0 5 5.9 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C(F)(F)F)c2)n1 nan
CHEMBL3699130 132727 0 None - 1 Human 8.5 pKi = 8.5 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 435 4 0 5 5.9 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C(F)(F)F)c2)n1 nan
49835586 132578 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 5 5.2 CC(C)Cn1cc(-c2nc(-c3cc(F)ccc3F)no2)c(-c2ccccc2)n1 nan
CHEMBL3698530 132578 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 5 5.2 CC(C)Cn1cc(-c2nc(-c3cc(F)ccc3F)no2)c(-c2ccccc2)n1 nan
49835539 132863 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 5 0 7 5.2 N#CCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccncc3)n2)cc1 nan
CHEMBL3701842 132863 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 5 0 7 5.2 N#CCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccncc3)n2)cc1 nan
49835538 132861 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 0 10 4.2 c1cc(-c2c(-c3nc(-c4ccc(Cn5ncnn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701840 132861 0 None - 1 Human 8.5 pKi = 8.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 0 10 4.2 c1cc(-c2c(-c3nc(-c4ccc(Cn5ncnn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
11545181 4013 6 None 31 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
2930 4013 6 None 31 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
CHEMBL389033 4013 6 None 31 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 10.1016/j.bmc.2006.10.060
44342175 85518 0 None 10 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL227371 85518 0 None 10 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
CHEMBL422074 85518 0 None 10 2 Human 7.5 pKi = 7.5 Binding
Displacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cellsDisplacement of [32P]S1P from human S1P1 receptor expressed in HEK293T cells
ChEMBL 372 12 4 4 3.0 CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 10.1016/j.bmc.2006.10.060
66803560 132857 0 None - 1 Human 7.5 pKi = 7.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.5 COCc1c(-c2nc(-c3cccc(OCCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701836 132857 0 None - 1 Human 7.5 pKi = 7.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 440 10 1 8 4.5 COCc1c(-c2nc(-c3cccc(OCCCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
49835396 132843 0 None - 1 Human 7.5 pKi = 7.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 472 7 1 8 4.2 CC(C)(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1-c1ccncc1 nan
CHEMBL3701822 132843 0 None - 1 Human 7.5 pKi = 7.5 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 472 7 1 8 4.2 CC(C)(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1-c1ccncc1 nan
46829676 127484 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 374 3 1 6 4.4 Cc1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cnc1N1CCCCC1C nan
CHEMBL3661065 127484 0 None - 1 Human 7.4 pKi = 7.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 374 3 1 6 4.4 Cc1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cnc1N1CCCCC1C nan
66803685 132853 0 None - 1 Human 6.4 pKi = 6.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 8 1 7 4.3 COCc1c(-c2nc(-c3ccc(CCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701832 132853 0 None - 1 Human 6.4 pKi = 6.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 8 1 7 4.3 COCc1c(-c2nc(-c3ccc(CCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
46220482 127488 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 467 5 2 7 3.8 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O nan
CHEMBL3661069 127488 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 467 5 2 7 3.8 CC1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CNCC4)no2)cc1NS(C)(=O)=O nan
59606535 132720 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 378 5 0 6 5.5 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1 nan
CHEMBL3699124 132720 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 378 5 0 6 5.5 COc1ccccc1-c1noc(-c2ccc(-c3cscc3C)c(OC)c2)n1 nan
25255378 132728 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 470 4 0 5 7.4 Cc1cscc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
CHEMBL3699131 132728 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 470 4 0 5 7.4 Cc1cscc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
59606529 132729 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 392 4 0 6 4.8 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C#N)c2)n1 nan
CHEMBL3699132 132729 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 392 4 0 6 4.8 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(C#N)c2)n1 nan
25255482 132733 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 417 6 0 5 5.6 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CN(C)C)c2)n1 nan
CHEMBL3699136 132733 0 None - 1 Human 8.4 pKi = 8.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 417 6 0 5 5.6 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CN(C)C)c2)n1 nan
46829743 127495 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 417 6 1 6 5.2 CCC1CCCCN1c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1COC nan
CHEMBL3661076 127495 0 None - 1 Human 8.4 pKi = 8.4 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 417 6 1 6 5.2 CCC1CCCCN1c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1COC nan
66803586 132862 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 466 7 0 9 5.0 c1cc(-c2c(-c3nc(-c4ccc(CCn5cncn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701841 132862 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 466 7 0 9 5.0 c1cc(-c2c(-c3nc(-c4ccc(CCn5cncn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
49835336 132839 0 None - 1 Human 6.4 pKi = 6.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 408 7 1 7 4.4 COCc1c(-c2nc(-c3ccc(/C=C/C(=O)O)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701819 132839 0 None - 1 Human 6.4 pKi = 6.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 408 7 1 7 4.4 COCc1c(-c2nc(-c3ccc(/C=C/C(=O)O)cc3)no2)cnn1C1CCCCC1 nan
66795433 132849 0 None - 1 Human 7.4 pKi = 7.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 426 9 1 8 3.9 COCc1c(-c2nc(-c3cccc(COCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701828 132849 0 None - 1 Human 7.4 pKi = 7.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 426 9 1 8 3.9 COCc1c(-c2nc(-c3cccc(COCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
66795433 132849 0 None - 1 Human 7.4 pKi = 7.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 426 9 1 8 3.9 COCc1c(-c2nc(-c3cccc(COCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
CHEMBL3701828 132849 0 None - 1 Human 7.4 pKi = 7.4 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 426 9 1 8 3.9 COCc1c(-c2nc(-c3cccc(COCC(=O)O)c3)no2)cnn1C1CCCCC1 nan
25256388 132716 0 None - 1 Human 7.4 pKi = 7.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 374 4 0 4 5.8 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 nan
CHEMBL3699120 132716 0 None - 1 Human 7.4 pKi = 7.4 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 374 4 0 4 5.8 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(C)c2)n1 nan
59606540 132730 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 460 6 1 7 4.3 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(NS(C)(=O)=O)c2)n1 nan
CHEMBL3699133 132730 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 460 6 1 7 4.3 COc1ccc(F)cc1-c1noc(-c2ccc(N3CCCCC3C)c(NS(C)(=O)=O)c2)n1 nan
46829674 127483 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 427 3 1 5 5.7 CC1CCCCN1c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1C(F)(F)F nan
CHEMBL3661064 127483 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 427 3 1 5 5.7 CC1CCCCN1c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1C(F)(F)F nan
46829678 127485 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 396 5 1 5 5.4 COCc1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)ccc1-c1ccccc1C nan
CHEMBL3661066 127485 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 396 5 1 5 5.4 COCc1cc(-c2nc(-c3ccc4nc[nH]c4c3)no2)ccc1-c1ccccc1C nan
46829698 127486 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 409 5 1 5 5.3 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C nan
CHEMBL3661067 127486 0 None - 1 Human 8.3 pKi = 8.3 Binding
Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPγS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1 Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1xComplete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at −80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO.
ChEMBL 409 5 1 5 5.3 Cc1ccccc1-c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1CN(C)C nan
25256389 132717 0 None - 1 Human 8.3 pKi = 8.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 471 4 0 5 6.7 CC1CCCCN1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
CHEMBL3699121 132717 0 None - 1 Human 8.3 pKi = 8.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 471 4 0 5 6.7 CC1CCCCN1c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
25256564 132719 0 None - 1 Human 8.3 pKi = 8.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 416 4 0 5 6.6 Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C nan
CHEMBL3699123 132719 0 None - 1 Human 8.3 pKi = 8.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 416 4 0 5 6.6 Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1cscc1C nan
49835587 132828 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 461 5 0 8 4.2 CS(=O)(=O)c1cccc(-c2noc(-c3cnn(-c4ccccc4F)c3-c3ccncc3)n2)c1 nan
CHEMBL3701809 132828 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 461 5 0 8 4.2 CS(=O)(=O)c1cccc(-c2noc(-c3cnn(-c4ccccc4F)c3-c3ccncc3)n2)c1 nan
49835638 132834 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 407 4 0 6 5.4 Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccncc3)n2)c1 nan
CHEMBL3701814 132834 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 407 4 0 6 5.4 Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccncc3)n2)c1 nan
49835535 132851 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
CHEMBL3701830 132851 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
49835535 132851 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
CHEMBL3701830 132851 0 None - 1 Human 8.3 pKi = 8.3 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 451 6 0 8 5.4 c1cnn(Cc2ccc(-c3noc(-c4cnn(C5CCCCC5)c4-c4ccncc4)n3)cc2)c1 nan
25255481 132732 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 390 5 1 5 5.0 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CO)c2)n1 nan
CHEMBL3699135 132732 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 390 5 1 5 5.0 COc1ccc(F)cc1-c1noc(-c2ccc(-c3ccccc3C)c(CO)c2)n1 nan
25255175 132724 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 457 4 0 5 6.3 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 nan
CHEMBL3699128 132724 0 None - 1 Human 7.3 pKi = 7.3 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 457 4 0 5 6.3 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 nan
25255382 132731 0 None - 1 Human 8.2 pKi = 8.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 382 4 0 6 4.6 COc1ccc(F)cc1-c1noc(-c2cnc(N3CCCCC3C)c(C)c2)n1 nan
CHEMBL3699134 132731 0 None - 1 Human 8.2 pKi = 8.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 382 4 0 6 4.6 COc1ccc(F)cc1-c1noc(-c2cnc(N3CCCCC3C)c(C)c2)n1 nan
66803688 132866 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 0 10 4.2 c1cc(-c2c(-c3nc(-c4ccc(Cn5cnnn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701845 132866 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 0 10 4.2 c1cc(-c2c(-c3nc(-c4ccc(Cn5cnnn5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
49835333 132837 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 465 8 1 8 3.7 CC(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C1CCOCC1 nan
CHEMBL3701817 132837 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 465 8 1 8 3.7 CC(C)Cn1ncc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C1CCOCC1 nan
25255873 132705 0 None - 1 Human 6.2 pKi = 6.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 389 4 0 5 5.3 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1 nan
CHEMBL3699109 132705 0 None - 1 Human 6.2 pKi = 6.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 389 4 0 5 5.3 FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1 nan
49834916 132835 0 None - 1 Human 7.2 pKi = 7.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 411 4 1 7 5.0 c1cc(-c2c(-c3nc(-c4ccc5[nH]ncc5c4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701815 132835 0 None - 1 Human 7.2 pKi = 7.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 411 4 1 7 5.0 c1cc(-c2c(-c3nc(-c4ccc5[nH]ncc5c4)no3)cnn2C2CCCCC2)ccn1 nan
25256178 132706 0 None - 1 Human 8.2 pKi = 8.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 405 4 0 6 4.3 COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1 nan
CHEMBL3699110 132706 0 None - 1 Human 8.2 pKi = 8.2 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 405 4 0 6 4.3 COc1ccccc1-c1noc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1 nan
49835633 132831 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 5 5.2 CC(C)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
CHEMBL3701811 132831 0 None - 1 Human 8.2 pKi = 8.2 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 380 5 0 5 5.2 CC(C)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccccc1 nan
66803687 132865 0 None - 1 Human 7.1 pKi = 7.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 1 9 4.3 c1cc(-c2c(-c3nc(-c4ccc(Cc5nnn[nH]5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
CHEMBL3701844 132865 0 None - 1 Human 7.1 pKi = 7.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 6 1 9 4.3 c1cc(-c2c(-c3nc(-c4ccc(Cc5nnn[nH]5)cc4)no3)cnn2C2CCCCC2)ccn1 nan
25256180 132708 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 4 0 4 6.6 Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C nan
CHEMBL3699112 132708 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 4 0 4 6.6 Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C nan
25256658 132721 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 464 4 0 4 7.3 Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
CHEMBL3699125 132721 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 464 4 0 4 7.3 Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3OC(F)(F)F)no2)cc1C(F)(F)F nan
25256391 132725 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 4 0 4 6.4 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C(F)(F)F)c2)n1 nan
CHEMBL3699129 132725 0 None - 1 Human 8.1 pKi = 8.1 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 410 4 0 4 6.4 COc1ccccc1-c1noc(-c2ccc(-c3ccccc3C)c(C(F)(F)F)c2)n1 nan
66795493 132575 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 400 4 0 5 5.5 Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1 nan
CHEMBL3698527 132575 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 400 4 0 5 5.5 Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1 nan
49835585 132830 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 406 4 0 5 6.1 Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccccc3)n2)c1 nan
CHEMBL3701810 132830 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 406 4 0 5 6.1 Fc1ccc(F)c(-c2noc(-c3cnn(C4CCCCC4)c3-c3ccccc3)n2)c1 nan
49835636 132833 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 381 5 0 6 4.6 CC(C)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccncc1 nan
CHEMBL3701813 132833 0 None - 1 Human 8.1 pKi = 8.1 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 381 5 0 6 4.6 CC(C)Cn1ncc(-c2nc(-c3cc(F)ccc3F)no2)c1-c1ccncc1 nan
66805746 132859 0 None - 1 Human 8.0 pKi = 8 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 9 2 8 3.5 COCc1c(-c2nc(-c3ccc(C(=O)NCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
CHEMBL3701838 132859 0 None - 1 Human 8.0 pKi = 8 Binding
Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.Receptor Binding Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 453 9 2 8 3.5 COCc1c(-c2nc(-c3ccc(C(=O)NCCC(=O)O)cc3)no2)cnn1C1CCCCC1 nan
25256289 132713 0 None - 1 Human 7.0 pKi = 7.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 308 5 0 4 4.6 COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1 nan
CHEMBL3699117 132713 0 None - 1 Human 7.0 pKi = 7.0 Binding
In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.In Vitro Assay: Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates.
ChEMBL 308 5 0 4 4.6 COc1ccccc1-c1noc(-c2ccc(CC(C)C)cc2)n1 nan
16755143 502 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
In a GTP&gamma;S binding assay.In a GTP&gamma;S binding assay.
Guide to Pharmacology 442 4 1 5 5.6 C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 25347187
9569 502 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
In a GTP&gamma;S binding assay.In a GTP&gamma;S binding assay.
Guide to Pharmacology 442 4 1 5 5.6 C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 25347187
CHEMBL4297350 502 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
In a GTP&gamma;S binding assay.In a GTP&gamma;S binding assay.
Guide to Pharmacology 442 4 1 5 5.6 C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 25347187
DB11819 502 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
In a GTP&gamma;S binding assay.In a GTP&gamma;S binding assay.
Guide to Pharmacology 442 4 1 5 5.6 C[C@@H](C(F)(F)F)Oc1ccc(cc1C(F)(F)F)c1onc(n1)c1ccc2c(c1)nc[nH]2 25347187
10883396 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
10883396 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17170199
5283560 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
5283560 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17170199
911 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
911 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17170199
CHEMBL225155 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
CHEMBL225155 3647 45 None -1 4 Human 8.6 pKd = 8.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17170199
59393720 2817 29 None - 1 Human 9.4 pKd = 9.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
6997 2817 29 None - 1 Human 9.4 pKd = 9.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
CHEMBL3086703 2817 29 None - 1 Human 9.4 pKd = 9.4 Binding
UnclassifiedUnclassified
Guide to Pharmacology 464 7 3 3 6.3 OC(=O)[C@@H](NC(=O)c1c(C)cc(cc1C)c1cccc(c1)N[C@@H](c1ccc(c(c1)C)Cl)C)C 22999882
2926 3593 78 None - 1 Human 6.6 pKi = 6.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
4077460 3593 78 None - 1 Human 6.6 pKi = 6.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
CHEMBL224720 3593 78 None - 1 Human 6.6 pKi = 6.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 440 3 0 4 7.2 FC(c1sc(cc1c1ccccc1)c1onc(n1)c1cccc(c1)C(F)(F)F)(F)F 14732717
2931 4065 37 None - 1 Human 7.1 pKi = 7.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 16829954
6857802 4065 37 None - 1 Human 7.1 pKi = 7.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 16829954
CHEMBL1221649 4065 37 None - 1 Human 7.1 pKi = 7.1 Binding
UnclassifiedUnclassified
Guide to Pharmacology 342 10 4 3 2.6 CCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 16829954
6992 4007 0 None -9 5 Human 7.7 pKi = 7.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 369 11 3 3 4.3 CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O 21632869
73755254 4007 0 None -9 5 Human 7.7 pKi = 7.7 Binding
UnclassifiedUnclassified
Guide to Pharmacology 369 11 3 3 4.3 CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O 21632869
6992 4007 0 None -7 5 Mouse 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 369 11 3 3 4.3 CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O 21632869
73755254 4007 0 None -7 5 Mouse 7.8 pKi = 7.8 Binding
UnclassifiedUnclassified
Guide to Pharmacology 369 11 3 3 4.3 CCCCCCCCc1cccc(c1)C1CC(C1)(N)COP(=O)(O)O 21632869
11588811 4010 45 None 85 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 15590668
136212600 4010 45 None 85 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 15590668
3324 4010 45 None 85 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 15590668
CHEMBL228102 4010 45 None 85 2 Human 7.9 pKi = 7.9 Binding
UnclassifiedUnclassified
Guide to Pharmacology 372 12 4 4 3.0 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N 15590668
11545181 4013 6 None 31 2 Human 8.5 pKi = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298
2930 4013 6 None 31 2 Human 8.5 pKi = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298
CHEMBL389033 4013 6 None 31 2 Human 8.5 pKi = 8.5 Binding
UnclassifiedUnclassified
Guide to Pharmacology 370 12 4 3 3.4 CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N 17113298