Ligand source activities (1 row/activity)



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Ligands Receptor Assay information Chemical information
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name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Potency)		 # tested GPCRs
(Potency)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
10883396 3592 39 None -2 14 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P2R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P2R 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 3592 39 None -2 14 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P2R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P2R 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 3592 39 None -2 14 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P2R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P2R 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 3592 39 None -2 14 Human 8.9 pEC50 = 8.9 Functional
Agonist activity at human S1P2R expressed in HEK293T cells assessed as [35S]GTPgammaS binding after 30 mins by scintillation countingAgonist activity at human S1P2R 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
9593133 108629 6 None - 1 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 468 6 1 9 3.5 Clc1ccc(-c2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 nan
CHEMBL3213728 108629 6 None - 1 Human 5.0 pEC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 468 6 1 9 3.5 Clc1ccc(-c2ccc(/C=N/Nc3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1 nan
58344778 154000 0 None -6309 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 154000 0 None -6309 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 154000 0 None -6309 5 Human 6.0 pEC50 = 6.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
2113511 31404 28 None 10 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1404553 31404 28 None 10 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
977094 22638 6 None - 1 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 284 2 0 4 2.1 COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 nan
CHEMBL1328358 22638 6 None - 1 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 284 2 0 4 2.1 COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 nan
658787 46423 18 None 9 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 2 1 4 3.4 Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 nan
CHEMBL1539075 46423 18 None 9 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 2 1 4 3.4 Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 nan
67194420 142480 0 None -31622 4 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 142480 0 None -31622 4 Human 5.8 pEC50 = 5.8 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
2056575 108243 7 None - 1 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 421 3 0 4 4.5 COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 nan
CHEMBL3208498 108243 7 None - 1 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 421 3 0 4 4.5 COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 nan
1891819 36260 8 None 7 2 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 431 6 2 7 3.7 CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
CHEMBL1447632 36260 8 None 7 2 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 431 6 2 7 3.7 CC(C)CCNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
3093171 45818 12 None 1 4 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
CHEMBL1533401 45818 12 None 1 4 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
733831 32026 10 None -2 3 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 4 0 7 2.8 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O nan
CHEMBL1409828 32026 10 None -2 3 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 4 0 7 2.8 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O nan
4669891 51532 14 None - 1 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 386 3 0 4 5.5 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 nan
CHEMBL1585097 51532 14 None - 1 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 386 3 0 4 5.5 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 nan
2016176 42218 8 None 9 2 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 441 7 2 6 4.6 Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 nan
CHEMBL1499346 42218 8 None 9 2 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 441 7 2 6 4.6 Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 nan
7756956 39406 7 None - 1 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 353 5 0 5 1.8 Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1474501 39406 7 None - 1 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 353 5 0 5 1.8 Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 nan
662039 20067 7 None - 1 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 417 5 2 7 3.5 CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
CHEMBL1305537 20067 7 None - 1 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 417 5 2 7 3.5 CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
3800606 34696 8 None 1 2 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 417 5 2 7 3.3 CC(C)CNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
CHEMBL1432243 34696 8 None 1 2 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 417 5 2 7 3.3 CC(C)CNC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 nan
44422601 85155 0 None -74 5 Human 6.6 pEC50 = 6.6 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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 85155 0 None -74 5 Human 6.6 pEC50 = 6.6 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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
2842931 46289 14 None 2 3 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 3 0 4 5.4 Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 nan
CHEMBL1537907 46289 14 None 2 3 Human 5.6 pEC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 3 0 4 5.4 Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1 nan
2113511 31404 28 None 10 2 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1404553 31404 28 None 10 2 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
1472014 20433 11 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 352 3 0 4 4.8 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 nan
CHEMBL1308408 20433 11 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 352 3 0 4 4.8 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 nan
2460650 22600 9 None - 1 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 341 6 0 7 2.7 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 nan
CHEMBL1328093 22600 9 None - 1 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 341 6 0 7 2.7 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 nan
5398663 45583 20 None -1 3 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 285 3 2 5 2.0 O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O nan
CHEMBL1531320 45583 20 None -1 3 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 285 3 2 5 2.0 O=C(NCc1ccco1)c1cc2ccc(O)cc2oc1=O nan
2837694 45528 5 None 74 2 Human 6.5 pEC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 420 8 1 5 3.2 CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 nan
CHEMBL1530797 45528 5 None 74 2 Human 6.5 pEC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 420 8 1 5 3.2 CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 nan
57390239 67566 0 None -25 4 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P2 receptorAgonist activity at S1P2 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 67566 0 None -25 4 Human 5.4 pEC50 = 5.4 Functional
Agonist activity at S1P2 receptorAgonist activity at S1P2 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
1950276 35791 8 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 474 8 2 8 2.8 COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 nan
CHEMBL1443309 35791 8 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 474 8 2 8 2.8 COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 nan
1472015 51178 14 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 332 3 0 4 4.5 Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 nan
CHEMBL1582179 51178 14 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 332 3 0 4 4.5 Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 nan
10883396 3592 39 None -2 14 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P2 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 3592 39 None -2 14 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P2 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 3592 39 None -2 14 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P2 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 3592 39 None -2 14 Human 7.4 pEC50 = 7.4 Functional
Agonist activity at human recombinant S1P2 receptor expressed in HEK cells by GTPgammaS binding assayAgonist activity at human recombinant S1P2 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
5201463 51491 11 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 481 8 2 8 2.7 Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12 nan
CHEMBL1584869 51491 11 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 481 8 2 8 2.7 Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(CCCn4ccnc4)c3nc12 nan
4101144 28374 2 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 369 4 1 5 4.7 CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 nan
CHEMBL1376622 28374 2 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 369 4 1 5 4.7 CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 nan
2956626 52825 11 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 385 7 1 7 2.9 CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12 nan
CHEMBL1597823 52825 11 None - 1 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 385 7 1 7 2.9 CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12 nan
647592 33211 17 None 1 4 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 401 5 2 6 2.7 CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1419836 33211 17 None 1 4 Human 5.3 pEC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 401 5 2 6 2.7 CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 nan
44422604 85023 0 None -234 5 Human 6.3 pEC50 = 6.3 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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 85023 0 None -234 5 Human 6.3 pEC50 = 6.3 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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
44422606 85147 0 None -11 5 Human 6.3 pEC50 = 6.3 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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 85147 0 None -11 5 Human 6.3 pEC50 = 6.3 Functional
Activity at human S1P2 receptor expressed in HEK293T cells by [35S]GTP-gamma-S binding assayActivity at human S1P2 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
25110382 145576 0 None -34673 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 145576 0 None -34673 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 149595 2 None -35481 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 149595 2 None -35481 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
3239161 19467 11 None -10 3 Human 4.2 pEC50 = 4.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 278 2 0 6 1.1 C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1300662 19467 11 None -10 3 Human 4.2 pEC50 = 4.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 278 2 0 6 1.1 C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
58344592 154029 0 None -51286 4 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 154029 0 None -51286 4 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 154029 0 None -51286 4 Human 5.2 pEC50 = 5.2 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
7802604 26238 18 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 388 5 0 4 4.2 Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1359777 26238 18 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 388 5 0 4 4.2 Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 nan
1472012 51449 14 None - 1 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 318 3 0 4 4.2 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 nan
CHEMBL1584523 51449 14 None - 1 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 318 3 0 4 4.2 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 nan
9550812 24313 9 None -2 3 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 1 0 6 2.2 Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
CHEMBL1342332 24313 9 None -2 3 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 328 1 0 6 2.2 Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 nan
52938426 3324 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 3324 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 3324 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
2864688 36204 9 None 2 5 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 473 4 1 4 4.6 NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 nan
CHEMBL1447076 36204 9 None 2 5 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 473 4 1 4 4.6 NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1 nan
52938427 2936 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 2936 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 2936 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 2936 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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 2936 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of 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
164626769 185738 0 None - 1 Human 10.5 pIC50 = 10.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4874736 185738 0 None - 1 Human 10.5 pIC50 = 10.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
164623189 185046 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4864274 185046 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164623189 185046 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4864274 185046 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164626769 185738 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4874736 185738 0 None - 1 Human 9.5 pIC50 = 9.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
164628551 185961 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877932 185961 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164628551 185961 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877932 185961 0 None - 1 Human 9.4 pIC50 = 9.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164613342 184138 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4850513 184138 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164613342 184138 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4850513 184138 0 None - 1 Human 9.2 pIC50 = 9.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164608769 183900 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4847056 183900 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164608769 183900 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4847056 183900 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164616769 184250 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 405 4 3 6 3.9 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4852127 184250 0 None - 1 Human 9.1 pIC50 = 9.1 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 405 4 3 6 3.9 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
71547630 132614 0 None 3 2 Rat 9.0 pIC50 = 9 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 592 9 3 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL3703202 132614 0 None 3 2 Rat 9.0 pIC50 = 9 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 592 9 3 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL5076031 212638 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164627170 185702 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4874151 185702 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164627170 185702 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4874151 185702 0 None - 1 Human 8.9 pIC50 = 8.9 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
71547558 132613 0 None 4 2 Rat 8.8 pIC50 = 8.8 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 nan
CHEMBL3703201 132613 0 None 4 2 Rat 8.8 pIC50 = 8.8 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 nan
CHEMBL5091304 213529 0 None - 1 Human 8.0 pIC50 = 8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
570353 42818 6 None 15 4 Human 7.0 pIC50 = 7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 464 5 2 6 4.9 O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 nan
CHEMBL1504701 42818 6 None 15 4 Human 7.0 pIC50 = 7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 464 5 2 6 4.9 O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 nan
CHEMBL5087855 213348 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
CHEMBL5093130 213634 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164609902 184674 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4858509 184674 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
164609902 184674 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4858509 184674 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
4325987 46028 12 None 2 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
CHEMBL1535539 46028 12 None 2 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
663168 21918 9 None - 1 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 302 2 0 6 3.3 COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 nan
CHEMBL1322078 21918 9 None - 1 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 302 2 0 6 3.3 COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 nan
5464573 13961 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
5484463 13961 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
75463 13961 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL1197556 13961 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL576409 13961 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL5088734 213399 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
90309119 137198 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 552 9 3 6 6.5 COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)O 10.1016/j.bmcl.2016.01.031
CHEMBL3758974 137198 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 552 9 3 6 6.5 COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)O 10.1016/j.bmcl.2016.01.031
CHEMBL5079608 212854 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164613342 184138 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4850513 184138 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
53388307 64824 0 None -18 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at S1P2 receptorAntagonist activity at S1P2 receptor
ChEMBL 335 3 1 2 5.9 Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1 10.1016/j.bmcl.2011.06.132
CHEMBL1824254 64824 0 None -18 2 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at S1P2 receptorAntagonist activity at S1P2 receptor
ChEMBL 335 3 1 2 5.9 Cc1ccc(C)c(-c2ccc(C(=O)Nc3c(C)cccc3C)s2)c1 10.1016/j.bmcl.2011.06.132
122190861 123045 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 387 5 2 3 4.9 CCC(CC)CC1(O)CCN(c2nc3c(F)cc(C(F)(F)F)cc3[nH]2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618191 123045 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 387 5 2 3 4.9 CCC(CC)CC1(O)CCN(c2nc3c(F)cc(C(F)(F)F)cc3[nH]2)CC1 10.1016/j.bmcl.2015.09.022
44437418 14660 0 None -87 4 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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 14660 0 None -87 4 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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 14660 0 None -87 4 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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
164609247 183808 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4845783 183808 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
137377721 184772 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860157 184772 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL5088495 213390 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCOc1cc2nn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)cc2cc1Cl 10.1021/acs.jmedchem.1c01066
CHEMBL5088730 213398 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
5740802 53779 6 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 310 3 0 3 4.9 N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 nan
CHEMBL1606330 53779 6 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 310 3 0 3 4.9 N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 nan
CHEMBL5090411 213487 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1ccc(Cl)cc1NC(=O)Cc1nn(CC(=O)O)c(=O)c2ccccc12 10.1021/acs.jmedchem.1c01066
71547628 137107 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 10 3 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3758214 137107 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 10 3 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5091947 213561 0 None - 1 Human 7.9 pIC50 = 7.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
23072144 116996 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3400191 116996 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
23072092 116998 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3400193 116998 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3C)c2)CC1 10.1016/j.bmcl.2015.02.029
23071856 117180 0 None -44 2 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401375 117180 0 None -44 2 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
23071856 117180 0 None -44 2 Human 5.9 pIC50 = 5.9 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 nan
CHEMBL3401375 117180 0 None -44 2 Human 5.9 pIC50 = 5.9 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 nan
1941609 24190 30 None -3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
CHEMBL1341270 24190 30 None -3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
164621933 185395 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4869752 185395 0 None - 1 Human 4.9 pIC50 = 4.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
122190864 123050 0 None -8 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 517 6 2 5 6.5 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618198 123050 0 None -8 2 Human 6.9 pIC50 = 6.9 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 517 6 2 5 6.5 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
9550933 49101 7 None 138 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL1563943 49101 7 None 138 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
5863319 43279 14 None 3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
CHEMBL1508593 43279 14 None 3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
659822 53948 9 None - 1 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 390 3 2 4 4.0 CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F nan
CHEMBL1607568 53948 9 None - 1 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 390 3 2 4 4.0 CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F nan
460747 199258 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
CHEMBL601757 199258 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
1472216 50342 11 None 1 4 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
CHEMBL1574879 50342 11 None 1 4 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
90309206 123048 0 None 6 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 575 7 3 5 6.7 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618196 123048 0 None 6 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 575 7 3 5 6.7 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
164622072 185655 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 405 4 3 4 5.0 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4873481 185655 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 405 4 3 4 5.0 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 10.1021/acs.jmedchem.1c00138
118727601 116997 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3400192 116997 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
44607582 35041 0 None -45 3 Human 4.9 pIC50 = 4.9 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 437 4 1 4 5.5 Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1436066 35041 0 None -45 3 Human 4.9 pIC50 = 4.9 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 437 4 1 4 5.5 Cc1ccc(S(C)(=O)=O)c(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
1472003 44220 13 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 2 1 5 4.8 FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 nan
CHEMBL1519087 44220 13 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 2 1 5 4.8 FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 nan
122190864 123050 0 None 8 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 517 6 2 5 6.5 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618198 123050 0 None 8 2 Rat 7.9 pIC50 = 7.9 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 517 6 2 5 6.5 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
118728427 117183 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 458 9 2 4 6.2 CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 10.1016/j.bmcl.2015.02.029
CHEMBL3401378 117183 0 None - 1 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 458 9 2 4 6.2 CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 10.1016/j.bmcl.2015.02.029
460747 199258 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
CHEMBL601757 199258 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
663146 41833 8 None 5 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 417 4 1 7 3.2 COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 nan
CHEMBL1496004 41833 8 None 5 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 417 4 1 7 3.2 COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 nan
1363299 32724 10 None -54 5 Human 4.9 pIC50 = 4.9 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 nan
CHEMBL1415555 32724 10 None -54 5 Human 4.9 pIC50 = 4.9 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 nan
1475337 20531 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 20531 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
1475337 20531 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 20531 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
2319091 55715 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1546374 55715 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1624511 55715 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
11958855 30356 11 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL1393625 30356 11 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL5088730 213398 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
CHEMBL5076031 212638 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5079623 212856 3 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5091947 213561 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC(F)F)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
137377828 184696 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4858923 184696 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
137377828 184696 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4858923 184696 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
118728430 117189 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401384 117189 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
118728424 117179 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401374 117179 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2ccc(C)c(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
1472218 27406 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL1369655 27406 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL5082556 213038 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5094625 213728 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 10.1021/acs.jmedchem.1c01066
137377763 184368 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4853790 184368 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
137377763 184368 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4853790 184368 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
164623189 185046 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4864274 185046 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
137377728 185201 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4866666 185201 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
23071977 123042 0 None -21 2 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 390 5 2 2 5.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618189 123042 0 None -21 2 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 390 5 2 2 5.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2015.09.022
91826297 132616 0 None -21 2 Human 5.8 pIC50 = 5.8 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 nan
CHEMBL3703204 132616 0 None -21 2 Human 5.8 pIC50 = 5.8 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 nan
164609902 184674 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4858509 184674 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL5088730 213398 0 None - 1 Human 5.8 pIC50 = 5.8 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
1475343 34697 13 None -2 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
CHEMBL1432251 34697 13 None -2 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
137377728 185201 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4866666 185201 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
44607573 43847 0 None -54 2 Human 4.8 pIC50 = 4.8 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 327 3 1 2 5.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1 nan
CHEMBL1514981 43847 0 None -54 2 Human 4.8 pIC50 = 4.8 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 327 3 1 2 5.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(F)ccc2F)o1 nan
10223146 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
2917 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
CHEMBL1368758 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
90309435 137178 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 576 8 3 5 7.3 CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
CHEMBL3758803 137178 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 576 8 3 5 7.3 CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
90309191 137293 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3F)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759799 137293 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3F)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5088734 213399 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CCOc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
90309056 123049 0 None 4 2 Rat 7.8 pIC50 = 7.8 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 559 7 3 5 6.2 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618197 123049 0 None 4 2 Rat 7.8 pIC50 = 7.8 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 559 7 3 5 6.2 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
137377731 185926 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877484 185926 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
662276 33520 11 None 4 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
CHEMBL1422386 33520 11 None 4 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
1472218 27406 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL1369655 27406 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL5088715 213397 0 None - 1 Human 4.8 pIC50 = 4.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(CC(=O)O)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
CHEMBL5077930 212752 0 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5077930 212752 0 None - 1 Human 6.8 pIC50 = 6.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
649706 20294 2 None -3 5 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 420 5 0 7 4.3 CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 nan
CHEMBL1307319 20294 2 None -3 5 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 420 5 0 7 4.3 CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 nan
658731 30374 8 None 3 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 280 1 1 3 3.8 Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 nan
CHEMBL1393783 30374 8 None 3 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 280 1 1 3 3.8 Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 nan
6897238 66940 4 None 3 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 448 5 1 5 5.0 Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 nan
CHEMBL1881714 66940 4 None 3 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 448 5 1 5 5.0 Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 nan
CHEMBL5084509 213148 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
1475343 34697 13 None -2 4 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
CHEMBL1432251 34697 13 None -2 4 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
1480237 21453 13 None - 1 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 443 5 1 4 5.1 O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 nan
CHEMBL1317987 21453 13 None - 1 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 443 5 1 4 5.1 O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 nan
CHEMBL5076177 212647 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
CHEMBL5082556 213038 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5071275 212484 7 None - 1 Human 4.7 pIC50 = 4.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
5286934 49036 8 None -2 5 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
CHEMBL1563483 49036 8 None -2 5 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
CHEMBL5079623 212856 3 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5080142 212894 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5082556 213038 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164616041 184791 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860509 184791 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
164625126 185285 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
CHEMBL4868016 185285 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
164625126 185285 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
CHEMBL4868016 185285 0 None - 1 Human 8.7 pIC50 = 8.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
71547556 132615 0 None 1 2 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3703203 132615 0 None 1 2 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
71547556 132615 0 None 1 2 Human 8.6 pIC50 = 8.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL3703203 132615 0 None 1 2 Human 8.6 pIC50 = 8.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
71547556 132615 0 None -1 2 Rat 8.6 pIC50 = 8.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL3703203 132615 0 None -1 2 Rat 8.6 pIC50 = 8.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
90309065 137264 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)cc3F)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759551 137264 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)cc3F)c2)CC1 10.1016/j.bmcl.2016.01.031
10223146 2124 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
2917 2124 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL1368758 2124 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL5078844 212817 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
10223146 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
2917 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL1368758 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
137377865 185500 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4871481 185500 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
137377865 185500 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4871481 185500 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
2765371 36299 13 None 5 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL1447924 36299 13 None 5 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
44607576 47844 0 None -50 3 Human 4.7 pIC50 = 4.7 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 391 5 1 4 5.5 COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1550998 47844 0 None -50 3 Human 4.7 pIC50 = 4.7 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 391 5 1 4 5.5 COc1cccc(OC)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
90309098 137256 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759492 137256 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5093130 213634 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90308914 117187 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 585 10 3 6 6.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401382 117187 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 585 10 3 6 6.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
118728433 117194 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401389 117194 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 10.1016/j.bmcl.2015.02.029
118727602 116999 0 None - 1 Human 4.7 pIC50 = 4.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3400194 116999 0 None - 1 Human 4.7 pIC50 = 4.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2C)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL5081161 212958 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5074979 212576 0 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(Cc1nn(C2CC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
CHEMBL5091304 213529 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCOc1cc2[nH]c(Cc3nn(CC(=O)N4CCOCC4)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
164609247 183808 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4845783 183808 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
164609247 183808 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4845783 183808 0 None - 1 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
23072004 116995 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 396 7 2 3 5.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3400190 116995 0 None - 1 Human 5.7 pIC50 = 5.7 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 396 7 2 3 5.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
979629 49258 20 None 2 3 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 459 6 1 7 3.1 COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 nan
CHEMBL1565349 49258 20 None 2 3 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 459 6 1 7 3.1 COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 nan
1211724 32914 17 None 1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL1417204 32914 17 None 1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL5088730 213398 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None CCOc1cc2cn(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
CHEMBL5081161 212958 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
2328694 53446 2 None -15 5 Human 5.6 pIC50 = 5.6 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 408 6 2 3 5.2 O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 nan
CHEMBL1603615 53446 2 None -15 5 Human 5.6 pIC50 = 5.6 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 408 6 2 3 5.2 O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 nan
666746 19908 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 382 2 1 6 4.8 Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 nan
CHEMBL1304169 19908 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 382 2 1 6 4.8 Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 nan
5663704 72039 6 None -1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 291 3 0 5 2.2 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O nan
CHEMBL1986259 72039 6 None -1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 291 3 0 5 2.2 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O nan
CHEMBL5084509 213148 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
137377731 185926 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877484 185926 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
137377731 185926 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877484 185926 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
44437393 14537 0 None -54 4 Human 4.6 pIC50 = 4.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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 14537 0 None -54 4 Human 4.6 pIC50 = 4.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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 14537 0 None -54 4 Human 4.6 pIC50 = 4.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assayAntagonist activity at human S1P2 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
CHEMBL5087518 213331 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
137377733 186024 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4878889 186024 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
137377733 186024 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4878889 186024 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
5235407 39090 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
CHEMBL1470979 39090 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
127027731 137122 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)c(F)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3758346 137122 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)c(F)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5073747 212533 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5076737 212691 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5084509 213148 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
648878 49461 9 None -1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 329 3 0 3 4.1 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 nan
CHEMBL1566928 49461 9 None -1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 329 3 0 3 4.1 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 nan
1474461 46987 18 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL1543839 46987 18 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
137377874 183921 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
CHEMBL4847407 183921 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
137377874 183921 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
CHEMBL4847407 183921 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
118728434 117195 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401390 117195 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 10.1016/j.bmcl.2015.02.029
164622777 185238 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4867313 185238 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
1474465 24453 22 None -2 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1343392 24453 22 None -2 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
5547949 107751 6 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 291 3 0 5 2.2 CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
CHEMBL3196976 107751 6 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 291 3 0 5 2.2 CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
90309040 117191 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401386 117191 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
23071856 117180 0 None 44 2 Rat 7.6 pIC50 = 7.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 nan
CHEMBL3401375 117180 0 None 44 2 Rat 7.6 pIC50 = 7.6 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 nan
2765371 36299 13 None 5 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL1447924 36299 13 None 5 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL5070413 212465 0 None - 1 Human 6.6 pIC50 = 6.6 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
3609942 46619 1 None -4 4 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL1540682 46619 1 None -4 4 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL5094625 213728 0 None - 1 Human 7.6 pIC50 = 7.6 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 10.1021/acs.jmedchem.1c01066
164627170 185702 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4874151 185702 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164628551 185961 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877932 185961 0 None - 1 Human 5.6 pIC50 = 5.6 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
23071887 123044 0 None -4 2 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 460 2 2 2 5.1 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618190 123044 0 None -4 2 Human 5.6 pIC50 = 5.6 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 460 2 2 2 5.1 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 10.1016/j.bmcl.2015.09.022
90309218 137325 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 8 3 5 6.4 CC(C)C1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 10.1016/j.bmcl.2016.01.031
CHEMBL3760061 137325 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 8 3 5 6.4 CC(C)C1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 10.1016/j.bmcl.2016.01.031
137377911 185278 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185278 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377911 185278 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185278 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
54692915 45816 9 None -9 2 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 348 3 3 5 2.9 CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 nan
CHEMBL1533366 45816 9 None -9 2 Human 4.5 pIC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 348 3 3 5 2.9 CCn1c(=O)c(C(=O)Nc2nc3ccccc3[nH]2)c(O)c2ccccc21 nan
5759185 38441 3 None -4 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
CHEMBL1465592 38441 3 None -4 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
5654285 107964 9 None 2 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 277 3 0 5 1.8 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
CHEMBL3199050 107964 9 None 2 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 277 3 0 5 1.8 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
4112227 33264 10 None 2 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 392 3 0 7 4.0 Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 nan
CHEMBL1420175 33264 10 None 2 3 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 392 3 0 7 4.0 Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 nan
3146467 55140 6 None 7 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
5767645 55140 6 None 7 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
5847067 55140 6 None 7 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
CHEMBL1404792 55140 6 None 7 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
CHEMBL1619624 55140 6 None 7 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
1568843 55532 11 None 25 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1481347 55532 11 None 25 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1622994 55532 11 None 25 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
2944643 33841 10 None 6 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 425 5 1 4 4.8 CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 nan
CHEMBL1424968 33841 10 None 6 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 425 5 1 4 4.8 CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 nan
89484778 132610 0 None 1 2 Human 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 590 11 3 5 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 nan
89484778 132610 0 None -1 2 Rat 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 590 11 3 5 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 nan
CHEMBL3703198 132610 0 None 1 2 Human 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 590 11 3 5 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 nan
CHEMBL3703198 132610 0 None -1 2 Rat 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 590 11 3 5 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 nan
164628297 185960 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2cnn(C)c2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4877928 185960 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2cnn(C)c2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL5079623 212856 3 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5082556 213038 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None C[C@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
71547555 123053 1 None 15 2 Rat 8.5 pIC50 = 8.5 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618201 123053 1 None 15 2 Rat 8.5 pIC50 = 8.5 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
71547555 123053 1 None 15 2 Rat 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL3618201 123053 1 None 15 2 Rat 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL5090966 213513 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164622777 185238 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4867313 185238 0 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
71547630 132614 0 None -3 2 Human 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 592 9 3 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL3703202 132614 0 None -3 2 Human 8.5 pIC50 = 8.5 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 592 9 3 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(=O)Oc3ccc(C(C)(C)C(=O)O)cc3)c2)CC1 nan
CHEMBL5079623 212856 3 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90308956 137204 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 556 8 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(Cl)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759037 137204 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 556 8 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(Cl)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5078844 212817 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5087855 213348 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
164608769 183900 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4847056 183900 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
164609392 183881 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 546 8 2 8 3.9 Cc1cc(CNC(=O)Nc2cc(OCCN(C)C)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4846795 183881 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 546 8 2 8 3.9 Cc1cc(CNC(=O)Nc2cc(OCCN(C)C)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
164613342 184138 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4850513 184138 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 427 4 2 4 4.8 Cc1cc(CNC(=O)c2cc3c(Cl)cc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL5094625 213728 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 10.1021/acs.jmedchem.1c01066
5389617 38430 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 6 1 5 1.8 O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 nan
CHEMBL1465527 38430 1 None - 1 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 6 1 5 1.8 O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 nan
1474465 24453 22 None -2 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1343392 24453 22 None -2 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL5076031 212638 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5074164 212542 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164621519 185403 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 341 4 4 5 2.7 Cc1cc(CO)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4870007 185403 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 341 4 4 5 2.7 Cc1cc(CO)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1 10.1021/acs.jmedchem.1c00138
5464573 13961 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
5484463 13961 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
75463 13961 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL1197556 13961 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL576409 13961 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
1474461 46987 18 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL1543839 46987 18 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL5084509 213148 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None C[C@@H](C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164623189 185046 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4864274 185046 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 403 4 2 4 4.7 Cc1cc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
137377828 184696 0 None - 1 Human 4.5 pIC50 = 4.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4858923 184696 0 None - 1 Human 4.5 pIC50 = 4.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
164625126 185285 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
CHEMBL4868016 185285 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
663168 21918 9 None - 1 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 302 2 0 6 3.3 COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 nan
CHEMBL1322078 21918 9 None - 1 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 302 2 0 6 3.3 COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 nan
1568843 55532 11 None 25 2 Human 6.5 pIC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1481347 55532 11 None 25 2 Human 6.5 pIC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1622994 55532 11 None 25 2 Human 6.5 pIC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 314 9 1 2 5.1 CCCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
597363 35507 12 None 2 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 293 3 1 8 1.0 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O nan
CHEMBL1440703 35507 12 None 2 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 293 3 1 8 1.0 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O nan
6897238 66940 4 None 3 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 448 5 1 5 5.0 Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 nan
CHEMBL1881714 66940 4 None 3 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 448 5 1 5 5.0 Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1 nan
CHEMBL5094933 213746 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl 10.1021/acs.jmedchem.1c01066
127029521 137222 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(F)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759218 137222 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 540 8 3 5 6.7 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(F)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5074164 212542 0 None - 1 Human 6.5 pIC50 = 6.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
658731 30374 8 None 3 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 280 1 1 3 3.8 Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 nan
CHEMBL1393783 30374 8 None 3 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 280 1 1 3 3.8 Cc1ccc2[nH]c3c(N4CCCCCC4)ncnc3c2c1 nan
2928973 45556 3 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
CHEMBL1531073 45556 3 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
137377721 184772 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860157 184772 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
137377721 184772 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860157 184772 0 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
164608769 183900 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4847056 183900 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 404 4 2 5 4.1 Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
137377912 184758 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4859853 184758 0 None - 1 Human 5.5 pIC50 = 5.5 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
141537981 184840 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4861377 184840 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
141537981 184840 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4861377 184840 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
164621155 185497 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 354 4 3 5 3.3 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C 10.1021/acs.jmedchem.1c00138
CHEMBL4871414 185497 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 354 4 3 5 3.3 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C 10.1021/acs.jmedchem.1c00138
CHEMBL5093130 213634 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
6859942 72012 9 None 2 2 Human 6.4 pIC50 = 6.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL1985061 72012 9 None 2 2 Human 6.4 pIC50 = 6.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
917237 24927 7 None 7 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 314 1 1 3 4.0 Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 nan
CHEMBL1347469 24927 7 None 7 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 314 1 1 3 4.0 Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 nan
1445420 32497 4 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL1413625 32497 4 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
1211724 32914 17 None 1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL1417204 32914 17 None 1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
5389617 38430 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 352 6 1 5 1.8 O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 nan
CHEMBL1465527 38430 1 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 352 6 1 5 1.8 O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 nan
5663704 72039 6 None -1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 291 3 0 5 2.2 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O nan
CHEMBL1986259 72039 6 None -1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 291 3 0 5 2.2 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C(C)=CC1=O nan
1474462 50157 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL1572967 50157 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
1288978 32281 13 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
CHEMBL1411912 32281 13 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
1941609 24190 30 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
CHEMBL1341270 24190 30 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
5759185 38441 3 None -4 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
CHEMBL1465592 38441 3 None -4 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
979629 49258 20 None 2 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 459 6 1 7 3.1 COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 nan
CHEMBL1565349 49258 20 None 2 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 459 6 1 7 3.1 COc1ccccc1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 nan
1474462 50157 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL1572967 50157 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL5093933 213680 0 None - 1 Human 6.4 pIC50 = 6.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
89484779 117188 0 None -2 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3401383 117188 0 None -2 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
90309054 123051 0 None -8 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 594 7 2 6 6.5 CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618199 123051 0 None -8 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 594 7 2 6 6.5 CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
90309510 123052 0 None -6 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 595 7 3 6 5.7 NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618200 123052 0 None -6 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 595 7 3 6 5.7 NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
89484779 117188 0 None -2 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401383 117188 0 None -2 2 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
23071917 123046 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 416 2 2 2 5.0 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618192 123046 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 416 2 2 2 5.0 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 10.1016/j.bmcl.2015.09.022
659623 19956 7 None 5 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 3 1 6 3.3 Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 nan
CHEMBL1304582 19956 7 None 5 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 3 1 6 3.3 Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 nan
90309325 137192 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 522 8 3 5 6.5 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3758929 137192 0 None - 1 Human 8.4 pIC50 = 8.4 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 522 8 3 5 6.5 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
90309054 123051 0 None 8 2 Rat 8.3 pIC50 = 8.3 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 594 7 2 6 6.5 CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618199 123051 0 None 8 2 Rat 8.3 pIC50 = 8.3 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 594 7 2 6 6.5 CS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL5078844 212817 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
89484779 117188 0 None 2 2 Rat 8.3 pIC50 = 8.3 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3401383 117188 0 None 2 2 Rat 8.3 pIC50 = 8.3 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
164626769 185738 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4874736 185738 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
137377799 184785 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4860408 184785 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
164623201 185073 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4864744 185073 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 10.1021/acs.jmedchem.1c00138
663146 41833 8 None 5 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 417 4 1 7 3.2 COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 nan
CHEMBL1496004 41833 8 None 5 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 417 4 1 7 3.2 COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12 nan
2928973 45556 3 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
CHEMBL1531073 45556 3 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
9550933 49101 7 None 138 2 Human 7.4 pIC50 = 7.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL1563943 49101 7 None 138 2 Human 7.4 pIC50 = 7.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL5086993 213289 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(Cc1nn(C2CCNC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
164609902 184674 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4858509 184674 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 433 6 2 6 3.8 CCOc1cc(NC(=O)NCc2cc(C)c(N3CC(C)OC(C)C3)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
164625126 185285 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
CHEMBL4868016 185285 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 411 6 2 7 4.0 CCOc1nc(Cl)cc2nc(NCc3cc(C)c(-c4cn(C)nc4C)cn3)[nH]c12 10.1021/acs.jmedchem.1c00138
2319091 55715 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1546374 55715 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1624511 55715 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL5073747 212533 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
118728431 117192 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401387 117192 0 None - 1 Human 7.4 pIC50 = 7.4 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
5547949 107751 6 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 291 3 0 5 2.2 CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
CHEMBL3196976 107751 6 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 291 3 0 5 2.2 CC1=C(C)/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
648878 49461 9 None -1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 329 3 0 3 4.1 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 nan
CHEMBL1566928 49461 9 None -1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 329 3 0 3 4.1 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1 nan
3449225 34200 10 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 526 3 3 8 6.7 Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 nan
CHEMBL1428153 34200 10 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 526 3 3 8 6.7 Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 nan
662276 33520 11 None 4 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
CHEMBL1422386 33520 11 None 4 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
164609247 183808 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4845783 183808 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 468 6 2 6 4.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
137377728 185201 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4866666 185201 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
137377733 186024 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4878889 186024 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
5286934 49036 8 None -2 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
CHEMBL1563483 49036 8 None -2 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 294 9 0 4 2.4 CCCCS(=O)(=O)/C=C\C=C/S(=O)(=O)CCCC nan
137377763 184368 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4853790 184368 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
164627572 185689 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 394 5 4 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)NC2CC2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4873977 185689 0 None - 1 Human 5.4 pIC50 = 5.4 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 394 5 4 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(C(=O)NC2CC2)c1 10.1021/acs.jmedchem.1c00138
137377865 185500 0 None - 1 Human 4.4 pIC50 = 4.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4871481 185500 0 None - 1 Human 4.4 pIC50 = 4.4 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
4269692 38726 10 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 526 3 3 8 6.7 Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 nan
CHEMBL1467961 38726 10 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 526 3 3 8 6.7 Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 nan
1720828 55840 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1596681 55840 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1625618 55840 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL5076177 212647 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
2944643 33841 10 None 6 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 425 5 1 4 4.8 CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 nan
CHEMBL1424968 33841 10 None 6 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 425 5 1 4 4.8 CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 nan
4325987 46028 12 None 2 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
CHEMBL1535539 46028 12 None 2 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
164626769 185738 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4874736 185738 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 414 6 2 6 3.9 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C)cn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL5080142 212894 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CCn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
44607575 52267 0 None -29 5 Human 5.3 pIC50 = 5.3 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 2 (S1P2). (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 2 (S1P2). (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 52267 0 None -29 5 Human 5.3 pIC50 = 5.3 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 2 (S1P2). (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 2 (S1P2). (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
659822 53948 9 None - 1 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 390 3 2 4 4.0 CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F nan
CHEMBL1607568 53948 9 None - 1 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 390 3 2 4 4.0 CCC(NC(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F nan
137377828 184696 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4858923 184696 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
164621933 185395 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4869752 185395 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377874 183921 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
CHEMBL4847407 183921 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
137377911 185278 15 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185278 15 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377874 183921 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
CHEMBL4847407 183921 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
137377763 184368 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4853790 184368 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
6859942 72012 9 None 2 2 Human 4.3 pIC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL1985061 72012 9 None 2 2 Human 4.3 pIC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL5090966 213513 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
89484784 132612 0 None 1 2 Rat 8.3 pIC50 = 8.3 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 633 10 3 6 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 nan
CHEMBL3703200 132612 0 None 1 2 Rat 8.3 pIC50 = 8.3 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 633 10 3 6 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 nan
89484784 132612 0 None -1 2 Human 8.3 pIC50 = 8.3 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 633 10 3 6 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 nan
CHEMBL3703200 132612 0 None -1 2 Human 8.3 pIC50 = 8.3 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 633 10 3 6 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCCC(O)C4)cc3)c2)CC1 nan
71547558 132613 0 None -4 2 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 10.1016/j.bmcl.2016.01.031
CHEMBL3703201 132613 0 None -4 2 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 10.1016/j.bmcl.2016.01.031
164621155 185497 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 354 4 3 5 3.3 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C 10.1021/acs.jmedchem.1c00138
CHEMBL4871414 185497 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 354 4 3 5 3.3 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1N(C)C 10.1021/acs.jmedchem.1c00138
CHEMBL5073747 212533 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5073747 212533 0 None - 1 Human 8.3 pIC50 = 8.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CCC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90309510 123052 0 None 6 2 Rat 8.2 pIC50 = 8.2 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 595 7 3 6 5.7 NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618200 123052 0 None 6 2 Rat 8.2 pIC50 = 8.2 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 595 7 3 6 5.7 NS(=O)(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
11452022 3539 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 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 3539 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 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 3539 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 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
118728425 117181 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 428 7 2 3 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401376 117181 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 428 7 2 3 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
137377865 185500 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4871481 185500 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
666746 19908 10 None - 1 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 382 2 1 6 4.8 Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 nan
CHEMBL1304169 19908 10 None - 1 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 382 2 1 6 4.8 Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 nan
CHEMBL5090966 213513 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
141537981 184840 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4861377 184840 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
4112227 33264 10 None 2 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 392 3 0 7 4.0 Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 nan
CHEMBL1420175 33264 10 None 2 3 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 392 3 0 7 4.0 Fc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2C(F)(F)F)cc1 nan
137377763 184368 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4853790 184368 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 463 6 2 7 3.9 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL5079608 212854 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
137377733 186024 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4878889 186024 0 None - 1 Human 4.3 pIC50 = 4.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 449 6 2 7 3.6 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C)n1 10.1021/acs.jmedchem.1c00138
164621933 185395 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4869752 185395 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
164621933 185395 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4869752 185395 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 463 7 3 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(Nc3cn(C)nc3C)cn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377721 184772 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860157 184772 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
137377731 185926 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877484 185926 0 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL5090966 213513 0 None - 1 Human 7.3 pIC50 = 7.3 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(C(F)(F)F)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5074979 212576 0 None - 1 Human 6.3 pIC50 = 6.3 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(Cc1nn(C2CC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
917237 24927 7 None 7 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 314 1 1 3 4.0 Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 nan
CHEMBL1347469 24927 7 None 7 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 314 1 1 3 4.0 Cc1ccc2[nH]c3c(N4CCc5ccccc5C4)ncnc3c2c1 nan
1108211 53640 21 None - 1 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 369 1 1 3 3.7 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O nan
CHEMBL1605274 53640 21 None - 1 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 369 1 1 3 3.7 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O nan
CHEMBL5081161 212958 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90309524 117186 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 584 10 2 6 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401381 117186 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 584 10 2 6 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
105193 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5982226 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6912924 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6914143 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
91972152 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1186511 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1518905 12394 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5654285 107964 9 None 2 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 277 3 0 5 1.8 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
CHEMBL3199050 107964 9 None 2 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 277 3 0 5 1.8 CC1=C/C(=N\OS(=O)(=O)c2ccccc2)C=CC1=O nan
CHEMBL5076031 212638 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
71547555 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
CHEMBL3618201 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
71547555 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618201 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
164622072 185655 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 405 4 3 4 5.0 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4873481 185655 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 405 4 3 4 5.0 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc(-c2ccc(F)cc2)c1 10.1021/acs.jmedchem.1c00138
71547555 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL3618201 123053 1 None -15 2 Human 8.2 pIC50 = 8.2 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
90343274 137301 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 562 9 3 5 6.9 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3759864 137301 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 562 9 3 5 6.9 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL5081728 212991 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(C(F)(F)F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5078844 212817 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None O=C(O)Cc1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
164609590 183818 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 336 3 3 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N 10.1021/acs.jmedchem.1c00138
CHEMBL4845863 183818 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 336 3 3 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N 10.1021/acs.jmedchem.1c00138
3609942 46619 1 None -4 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL1540682 46619 1 None -4 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 5 4.6 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C12c1ccccc1-c1ccccc12 nan
CHEMBL5087518 213331 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None COc1cc2[nH]c(Cc3nn(CC(=O)O)c(=O)c4ccccc34)nc2cc1Cl 10.1021/acs.jmedchem.1c01066
6217704 32367 3 None -18 6 Human 6.2 pIC50 = 6.2 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 2 (S1P2). (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 2 (S1P2). (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 32367 3 None -18 6 Human 6.2 pIC50 = 6.2 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 2 (S1P2). (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 2 (S1P2). (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
597363 35507 12 None 2 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 293 3 1 8 1.0 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O nan
CHEMBL1440703 35507 12 None 2 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 293 3 1 8 1.0 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O nan
460749 23346 9 None -1 6 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
CHEMBL1334062 23346 9 None -1 6 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
105193 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5982226 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6912924 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6914143 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
91972152 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1186511 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1518905 12394 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
137377912 184758 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4859853 184758 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
137377912 184758 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4859853 184758 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 499 8 2 8 3.6 COCCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
1445420 32497 4 None - 1 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL1413625 32497 4 None - 1 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL5079608 212854 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5081728 212991 0 None - 1 Human 7.2 pIC50 = 7.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(C(F)(F)F)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
137377721 184772 0 None - 1 Human 4.2 pIC50 = 4.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860157 184772 0 None - 1 Human 4.2 pIC50 = 4.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 460 6 2 8 3.2 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C#N)n1 10.1021/acs.jmedchem.1c00138
570353 42818 6 None 15 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 464 5 2 6 4.9 O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 nan
CHEMBL1504701 42818 6 None 15 4 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 464 5 2 6 4.9 O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1ccccc1 nan
3146467 55140 6 None 7 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
5767645 55140 6 None 7 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
5847067 55140 6 None 7 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
CHEMBL1404792 55140 6 None 7 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
CHEMBL1619624 55140 6 None 7 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 347 3 0 2 5.4 CCN1/C(=C/c2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 nan
23071887 123044 0 None 4 2 Rat 6.2 pIC50 = 6.2 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 460 2 2 2 5.1 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618190 123044 0 None 4 2 Rat 6.2 pIC50 = 6.2 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 460 2 2 2 5.1 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(Br)cc2)CC1 10.1016/j.bmcl.2015.09.022
164609590 183818 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 336 3 3 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N 10.1021/acs.jmedchem.1c00138
CHEMBL4845863 183818 0 None - 1 Human 8.2 pIC50 = 8.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 336 3 3 5 3.1 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1C#N 10.1021/acs.jmedchem.1c00138
89484793 132611 0 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 577 11 3 5 7.3 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL3703199 132611 0 None 1 2 Human 8.2 pIC50 = 8.2 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 577 11 3 5 7.3 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL5070413 212465 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5079623 212856 3 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitmentAntagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5093130 213634 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None CC(C)(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
11958855 30356 11 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL1393625 30356 11 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
137377799 184785 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4860408 184785 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
137377799 184785 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4860408 184785 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 519 7 3 8 3.3 Cc1cc(CNC(=O)Nc2cc(OCCO)nc(C(F)(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
137377731 185926 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877484 185926 0 None - 1 Human 5.2 pIC50 = 5.2 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 474 6 2 8 3.5 CCOc1nc(C#N)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
141537981 184840 0 None - 1 Human 4.2 pIC50 = 4.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4861377 184840 0 None - 1 Human 4.2 pIC50 = 4.2 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
5863319 43279 14 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
CHEMBL1508593 43279 14 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
23071977 123042 0 None 21 2 Rat 7.1 pIC50 = 7.1 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 390 5 2 2 5.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618189 123042 0 None 21 2 Rat 7.1 pIC50 = 7.1 Functional
Antagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at rat S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 390 5 2 2 5.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 10.1016/j.bmcl.2015.09.022
91826297 132616 0 None 21 2 Rat 7.1 pIC50 = 7.1 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 nan
CHEMBL3703204 132616 0 None 21 2 Rat 7.1 pIC50 = 7.1 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3cc(F)cc(C(F)(F)F)c3)c2)CC1 nan
141537981 184840 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4861377 184840 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 505 7 2 7 4.2 Cc1cc(CNC(=O)Nc2cc(Cl)nc(OCC(F)F)c2)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
1472225 24540 10 None -2 7 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL1344225 24540 10 None -2 7 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL5093933 213680 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(CC(=O)Nc2ccc(OC(F)(F)F)c(Cl)c2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90309056 123049 0 None -4 2 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 559 7 3 5 6.2 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618197 123049 0 None -4 2 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 559 7 3 5 6.2 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
164616041 184791 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860509 184791 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
137377865 185500 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4871481 185500 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 469 6 2 7 4.0 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(Cl)n1 10.1021/acs.jmedchem.1c00138
1288978 32281 13 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
CHEMBL1411912 32281 13 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
4492589 30692 7 None -102 4 Human 5.1 pIC50 = 5.1 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1397874 30692 7 None -102 4 Human 5.1 pIC50 = 5.1 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
4287683 20565 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 543 5 2 3 6.6 O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 nan
CHEMBL1309450 20565 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 543 5 2 3 6.6 O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 nan
CHEMBL5079608 212854 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None O=C(O)Cn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90309142 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
9223 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
CHEMBL3759434 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
90309141 137184 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)O)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3758872 137184 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 564 9 3 5 7.2 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)O)c3)c2)CC1 10.1016/j.bmcl.2016.01.031
90309512 137259 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 562 8 3 5 6.9 CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
CHEMBL3759532 137259 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 562 8 3 5 6.9 CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2016.01.031
CHEMBL5076737 212691 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2nc3cc(Cl)c(OCC4CC4)cc3[nH]2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
3449225 34200 10 None - 1 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 526 3 3 8 6.7 Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 nan
CHEMBL1428153 34200 10 None - 1 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 526 3 3 8 6.7 Cc1cccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)c1 nan
4971561 40092 10 None - 1 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 432 5 1 6 5.4 Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 nan
CHEMBL1481335 40092 10 None - 1 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 432 5 1 6 5.4 Cn1c(-c2c(N)n(CCCc3ccccc3)c3nc4ccccc4nc23)nc2ccccc21 nan
659623 19956 7 None 5 2 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 3 1 6 3.3 Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 nan
CHEMBL1304582 19956 7 None 5 2 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 3 1 6 3.3 Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 nan
CHEMBL5094625 213728 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)C1(c2nn(Cc3cn4cc(OCC5CC5)c(Cl)cc4n3)c3ccccc3c2=O)CC1 10.1021/acs.jmedchem.1c01066
118728423 117178 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401373 117178 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 410 7 2 3 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccccc3)c2)CC1 10.1016/j.bmcl.2015.02.029
90309206 123048 0 None -6 2 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 575 7 3 5 6.7 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618196 123048 0 None -6 2 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 575 7 3 5 6.7 NC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
649706 20294 2 None -3 5 Human 4.1 pIC50 = 4.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 420 5 0 7 4.3 CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 nan
CHEMBL1307319 20294 2 None -3 5 Human 4.1 pIC50 = 4.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 420 5 0 7 4.3 CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 nan
118728429 117185 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 531 9 2 5 7.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401380 117185 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 531 9 2 5 7.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
137377728 185201 0 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL4866666 185201 0 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 533 7 3 8 3.6 Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)nc(OCCO)c2C)nnc1-c1cn(C)nc1C(F)(F)F 10.1021/acs.jmedchem.1c00138
CHEMBL5070413 212465 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
118728426 117182 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 448 7 2 3 6.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401377 117182 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 448 7 2 3 6.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
137377874 183921 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
CHEMBL4847407 183921 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(C)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1Cl 10.1021/acs.jmedchem.1c00138
137377911 185278 15 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185278 15 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
5235407 39090 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
CHEMBL1470979 39090 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
90309100 117190 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401385 117190 0 None - 1 Human 7.1 pIC50 = 7.1 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 10.1016/j.bmcl.2015.02.029
137377828 184696 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
CHEMBL4858923 184696 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 483 6 2 7 4.3 CCOc1nc(Cl)cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)c1C 10.1021/acs.jmedchem.1c00138
137377911 185278 15 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185278 15 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
164627170 185702 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4874151 185702 0 None - 1 Human 6.1 pIC50 = 6.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 428 4 2 5 4.2 Cc1cc(CNC(=O)c2cc3c(Cl)nc(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL5094933 213746 0 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl 10.1021/acs.jmedchem.1c01066
164628551 185961 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4877932 185961 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 400 4 2 5 4.9 Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL5070413 212465 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(O)Cn1nc(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90309243 137173 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 9 3 5 7.0 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
CHEMBL3758775 137173 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysisAntagonist activity at S1P2 receptor (unknown origin) expressed in CHO cells assessed as inhibition of S1P-induced increase in intracellular calcium ion concentration by Fura-2AM based fluorescence analysis
ChEMBL 550 9 3 5 7.0 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)C(=O)O)cc3)c2)CC1 10.1016/j.bmcl.2016.01.031
164623201 185073 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4864744 185073 0 None - 1 Human 8.0 pIC50 = 8.0 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1ccn(C)n1 10.1021/acs.jmedchem.1c00138
71547558 132613 0 None -4 2 Human 8.0 pIC50 = 8.0 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 nan
CHEMBL3703201 132613 0 None -4 2 Human 8.0 pIC50 = 8.0 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 536 9 3 5 6.4 CC(C)CC1(O)CN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 nan
89484793 132611 0 None -1 2 Rat 8.0 pIC50 = 8.0 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 577 11 3 5 7.3 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
CHEMBL3703199 132611 0 None -1 2 Rat 8.0 pIC50 = 8.0 Functional
Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.Fluorescence-Based Assay: Chinese hamster ovary (CHO) cells overexpressing the human S1P2 gene were cultured in a Ham's F12 medium containing 10% fetal bovine serum (FBS), an antibiotic/antifungal agent and G418. CHO cells overexpressing the rat S1P2 gene were cultured in a Ham's F12 medium containing 10% FBS, penicillin/streptomycin and blasticidin S. The cultured cells were incubated in a Fura2-AM solution (5 uM) [a Ham's F12 medium containing FBS (10%), HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM)] at 37 C. for 60 minutes. The cells were washed twice with a Hanks' balanced saline containing HEPES buffer (20 mM, pH 7.2 to 7.5) and probenecid (2.5 mM) and immersed in the same solution. A plate was mounted on a fluorescence-based drug screening system and the intracellular calcium ion concentration was measured for 30 seconds without stimulation.
ChEMBL 577 11 3 5 7.3 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 nan
3803930 193033 17 None 34 2 Human 7.1 pIC50 = 7.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
CHEMBL533602 193033 17 None 34 2 Human 7.1 pIC50 = 7.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
1720828 55840 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1596681 55840 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1625618 55840 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
3803930 193033 17 None 34 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
CHEMBL533602 193033 17 None 34 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
118728432 117193 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401388 117193 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL5081161 212958 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None COC(C(=O)O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5086993 213289 0 None - 1 Human 7.0 pIC50 = 7.0 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None O=C(Cc1nn(C2CCNC2)c(=O)c2ccccc12)Nc1ccc(OC(F)(F)F)c(Cl)c1 10.1021/acs.jmedchem.1c01066
1472216 50342 11 None 1 4 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
CHEMBL1574879 50342 11 None 1 4 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
44607579 43644 1 None -56 2 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 379 3 1 2 6.5 Cc1cccc(Cl)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1511831 43644 1 None -56 2 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 2 (S1P2). (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 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 379 3 1 2 6.5 Cc1cccc(Cl)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
23071955 123047 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 400 2 2 2 4.5 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3618193 123047 0 None - 1 Human 5.0 pIC50 = 5.0 Functional
Antagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assayAntagonist activity at human S1P2 expressed in CHO cells assessed as Ca2+ level by FURA-2AM dye based fluorescence assay
ChEMBL 400 2 2 2 4.5 O=C(Nc1cc(F)cc(C(F)(F)F)c1)N1CCC(O)(c2ccc(F)cc2)CC1 10.1016/j.bmcl.2015.09.022
5740802 53779 6 None - 1 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 310 3 0 3 4.9 N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 nan
CHEMBL1606330 53779 6 None - 1 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 310 3 0 3 4.9 N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1 nan
1472225 24540 10 None -2 7 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL1344225 24540 10 None -2 7 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
4287683 20565 10 None - 1 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 543 5 2 3 6.6 O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 nan
CHEMBL1309450 20565 10 None - 1 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 543 5 2 3 6.6 O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 nan
118728428 117184 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 524 9 2 4 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401379 117184 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assayAntagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 mins prior to S1P challenge by fluorescence assay
ChEMBL 524 9 2 4 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
460749 23346 9 None -1 6 Human 6.0 pIC50 = 6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
CHEMBL1334062 23346 9 None -1 6 Human 6.0 pIC50 = 6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
4269692 38726 10 None 2 2 Human 5.0 pIC50 = 5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 526 3 3 8 6.7 Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 nan
CHEMBL1467961 38726 10 None 2 2 Human 5.0 pIC50 = 5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 526 3 3 8 6.7 Cc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)C3c2ccc(O)c(O)c2)cc1 nan
49848557 1080 0 None -12589 5 Human 4.5 pEC50 < 4.5 Functional
In a S1P<sub>2</sub>R yeast reporter assay.In a S1P<sub>2</sub>R yeast reporter assay.
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 1080 0 None -12589 5 Human 4.5 pEC50 < 4.5 Functional
In a S1P<sub>2</sub>R yeast reporter assay.In a S1P<sub>2</sub>R yeast reporter assay.
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 1080 0 None -12589 5 Human 4.5 pEC50 < 4.5 Functional
In a S1P<sub>2</sub>R yeast reporter assay.In a S1P<sub>2</sub>R yeast reporter assay.
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
44599207 3552 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
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 3552 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
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 3552 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
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 3552 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
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 3552 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
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
52938427 2936 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
5383 2936 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
8709 2936 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
CHEMBL3707247 2936 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
DB12612 2936 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
11312 1271 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 345 5 0 5 3.1 N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C 23849205
25110470 1271 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 345 5 0 5 3.1 N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C 23849205
2924 1610 37 None -56 6 Human 7.5 pEC50 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 25762025
44398069 1610 37 None -56 6 Human 7.5 pEC50 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 25762025
9908268 1610 37 None -56 6 Human 7.5 pEC50 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 25762025
CHEMBL114606 1610 37 None -56 6 Human 7.5 pEC50 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 25762025
10883396 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -2 14 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 3592 39 None -1 14 Mouse 8.7 pEC50 = 8.7 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 3592 39 None -1 14 Mouse 8.7 pEC50 = 8.7 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 3592 39 None -1 14 Mouse 8.7 pEC50 = 8.7 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 3592 39 None -1 14 Mouse 8.7 pEC50 = 8.7 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
52938427 2936 47 None -1621 5 Human 5.0 pEC50 > 5 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 2936 47 None -1621 5 Human 5.0 pEC50 > 5 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 2936 47 None -1621 5 Human 5.0 pEC50 > 5 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 2936 47 None -1621 5 Human 5.0 pEC50 > 5 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 2936 47 None -1621 5 Human 5.0 pEC50 > 5 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
11259583 520 12 None -15848 6 Mouse 4.9 pEC50 None 4.9 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 520 12 None -15848 6 Mouse 4.9 pEC50 None 4.9 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 520 12 None -15848 6 Mouse 4.9 pEC50 None 4.9 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
10223146 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
10223146 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
2917 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
2917 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
CHEMBL1368758 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
CHEMBL1368758 2124 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
10223146 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
2917 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
CHEMBL1368758 2124 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
90309142 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 26794040
9223 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 26794040
CHEMBL3759434 983 0 None - 1 Human 8.1 pIC50 = 8.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 26794040


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Ligands Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Affinity)		 # tested GPCRs
(Affinity)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
10883396 3592 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 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 3592 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 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 3592 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 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 3592 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 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
49839234 117448 1 None - 0 Human 5.0 pEC50 = 5 Binding
Agonist activity at human S1P2 receptor by beta-arrestin recruitment assayAgonist activity at human S1P2 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 117448 1 None - 0 Human 5.0 pEC50 = 5 Binding
Agonist activity at human S1P2 receptor by beta-arrestin recruitment assayAgonist activity at human S1P2 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
44398076 12791 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 12791 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 12791 0 None - 0 Human 7.8 pEC50 = 7.8 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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
10883396 3592 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
10883396 3592 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
44392705 66333 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 66333 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 66333 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 66333 0 None - 0 Human 5.7 pEC50 = 5.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
44342244 64545 3 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 64545 3 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 64545 3 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
44342246 11307 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 11307 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 11307 0 None - 0 Human 5.6 pEC50 = 5.6 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
10883396 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 3592 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
44342221 11987 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 11987 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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 11987 0 None - 0 Human 6.0 pEC50 = 6.0 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 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
10883396 3592 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 3592 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 3592 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 3592 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
10883396 3592 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 3592 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 3592 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 3592 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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
11725751 12738 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12738 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12738 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12738 5 None - 0 Human 9.2 pIC50 = 9.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
2924 1610 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 1610 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 1610 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 1610 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
24812110 10650 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10650 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10309462 13521 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13521 0 None - 0 Human 9.1 pIC50 = 9.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10151146 13100 0 None - 0 Human 9.0 pIC50 = 9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13100 0 None - 0 Human 9.0 pIC50 = 9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344298 13433 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13433 0 None - 0 Human 8.9 pIC50 = 8.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10311227 168767 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 168767 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10126584 13484 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13484 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 113945 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 113945 0 None - 0 Human 8.8 pIC50 = 8.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344270 109627 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 109627 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 112409 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 112409 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10150171 167446 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 167446 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
10174548 12692 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12692 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10223146 2124 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
2917 2124 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
CHEMBL1368758 2124 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
10127776 10950 0 None - 0 Human 8.0 pIC50 = 8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10950 0 None - 0 Human 8.0 pIC50 = 8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172338 110058 3 None - 0 Human 7.0 pIC50 = 7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 110058 3 None - 0 Human 7.0 pIC50 = 7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172338 110058 3 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 110058 3 None - 0 Human 7.0 pIC50 = 7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
10125714 110028 0 None - 0 Human 6.0 pIC50 = 6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 110028 0 None - 0 Human 6.0 pIC50 = 6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
CHEMBL5088715 213397 0 None - 0 Human 5.0 pIC50 = 5.0 Binding
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membraneDisplacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(CC(=O)O)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
44344404 11256 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 11256 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10287091 10501 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10501 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344456 10543 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10543 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
24812110 10650 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10650 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
2924 1610 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 1610 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 1610 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 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 1610 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
46905530 10195 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 10195 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
21455530 10047 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10047 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10126736 109999 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 109999 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10125861 13089 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 13089 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
23071856 117180 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401375 117180 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 414 7 2 3 5.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cccc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
164622777 185238 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
CHEMBL4867313 185238 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 391 4 3 6 3.6 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cnn(C)c1 10.1021/acs.jmedchem.1c00138
44344193 114414 5 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 114414 5 None - 0 Human 7.9 pIC50 = 7.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
118728430 117189 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401384 117189 0 None - 0 Human 7.9 pIC50 = 7.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(N)=O)c3)c2)CC1 10.1016/j.bmcl.2015.02.029
155317265 170744 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 600 10 2 6 7.4 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4461033 170744 0 None - 0 Human 7.8 pIC50 = 7.8 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 600 10 2 6 7.4 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
44344360 10150 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10150 0 None - 0 Human 6.9 pIC50 = 6.9 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
118728427 117183 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 458 9 2 4 6.2 CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 10.1016/j.bmcl.2015.02.029
CHEMBL3401378 117183 0 None - 0 Human 5.9 pIC50 = 5.9 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 458 9 2 4 6.2 CCOc1cc(NC(=O)N2CCC(O)(CC(CC)CC)CC2)cc(Oc2ccc(F)cc2)c1 10.1016/j.bmcl.2015.02.029
44344194 11811 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 11811 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44344270 109627 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 109627 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
10216035 10932 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10932 0 None - 0 Human 5.8 pIC50 = 5.8 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317223 189802 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 474 7 1 8 1.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)N(C)C)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5177583 189802 0 None - 0 Human 6.8 pIC50 = 6.8 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 474 7 1 8 1.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)N(C)C)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
155317227 170669 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 536 10 2 5 7.6 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(OC)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4459775 170669 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 536 10 2 5 7.6 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(OC)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
44344210 13695 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13695 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10173002 167542 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 167542 0 None - 0 Human 7.7 pIC50 = 7.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
164616769 184250 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 405 4 3 6 3.9 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
CHEMBL4852127 184250 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 405 4 3 6 3.9 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C 10.1021/acs.jmedchem.1c00138
155317243 173430 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 567 10 3 5 6.5 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4542538 173430 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 567 10 3 5 6.5 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
10193915 14070 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 14070 0 None - 0 Human 8.7 pIC50 = 8.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10287365 10473 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10473 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317252 190803 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 538 8 3 9 2.8 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccc(O)cc3)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5192525 190803 0 None - 0 Human 8.6 pIC50 = 8.6 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 538 8 3 9 2.8 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccc(O)cc3)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
10310253 13395 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13395 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10193676 13627 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13627 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10236683 167528 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 167528 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344338 13271 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 13271 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
CHEMBL5094933 213746 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membraneDisplacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
ChEMBL None None None COc1cc(OC)c(NC(=O)Cn2nc(CC(=O)O)c3ccccc32)cc1Cl 10.1021/acs.jmedchem.1c01066
155317277 189820 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 578 15 3 11 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCOCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5177879 189820 0 None - 0 Human 6.7 pIC50 = 6.7 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 578 15 3 11 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCOCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
44344456 10543 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10543 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44344412 13243 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 13243 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44394116 66018 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 66018 0 None - 0 Human 5.7 pIC50 = 5.7 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
10271422 9844 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 9844 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
44344298 13433 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 13433 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
10287343 12213 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12213 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172545 9534 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 9534 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
54587490 62140 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 419 6 2 4 5.5 Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
CHEMBL1779905 62140 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 419 6 2 4 5.5 Cc1cc(OCCO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
44394212 66834 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 66834 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
54583567 62148 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 311 3 1 3 5.2 Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 10.1016/j.bmcl.2011.04.097
CHEMBL1779916 62148 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 311 3 1 3 5.2 Cc1ccsc1-c1ccc(C(=O)Nc2c(C)cccc2C)o1 10.1016/j.bmcl.2011.04.097
44341466 9919 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 9919 0 None - 0 Human 7.6 pIC50 = 7.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
155317220 175554 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 542 8 2 5 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4592049 175554 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 542 8 2 5 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
155317230 171157 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 521 8 3 4 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)NC)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4466980 171157 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 521 8 3 4 6.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)NC)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
54582606 62129 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 389 4 1 3 6.1 COc1cc(C)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 10.1016/j.bmcl.2011.04.097
CHEMBL1779894 62129 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 389 4 1 3 6.1 COc1cc(C)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 10.1016/j.bmcl.2011.04.097
54582607 62130 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 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 62130 0 None - 0 Human 5.6 pIC50 = 5.6 Binding
Inhibition of S1P2 receptorInhibition of S1P2 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
155322874 191670 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 507 8 1 8 3.4 COc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5205671 191670 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 507 8 1 8 3.4 COc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
145976329 163131 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 431 6 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 10.1016/j.bmcl.2017.12.010
CHEMBL4204756 163131 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 431 6 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)cc(C(C)C)c12 10.1016/j.bmcl.2017.12.010
155317229 170850 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 575 9 3 5 6.9 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCNC4=O)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4462730 170850 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 575 9 3 5 6.9 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCNC4=O)c2)CC1 10.1016/j.bmc.2019.06.047
155317247 173035 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 514 6 2 5 5.3 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4533520 173035 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 514 6 2 5 5.3 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
10289318 113528 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 113528 0 None - 0 Human 8.5 pIC50 = 8.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
90309040 117191 0 None - 1 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401386 117191 0 None - 1 Human 8.5 pIC50 = 8.5 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
10883396 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 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 3592 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 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
89484779 117188 0 None - 1 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401383 117188 0 None - 1 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
89484779 117188 0 None - 1 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counterDisplacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
CHEMBL3401383 117188 0 None - 1 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counterDisplacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.09.022
10174181 11164 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity towards human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity towards human sphingosine 1-phosphate receptor 5 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 11164 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity towards human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity towards human sphingosine 1-phosphate receptor 5 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
164616041 184791 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4860509 184791 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assayDisplacement of radio labeled-SIP from human recombinant S1P2 receptor expressed in CHO cell membranes measured after 15 mins by radioligand based competition binding assay
ChEMBL 383 5 3 6 3.4 CCOC(=O)c1cc(C)cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)n1 10.1021/acs.jmedchem.1c00138
51000470 62125 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 389 4 2 3 5.6 Cc1cc(CO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
CHEMBL1779890 62125 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 389 4 2 3 5.6 Cc1cc(CO)cc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 10.1016/j.bmcl.2011.04.097
CHEMBL5076177 212647 0 None - 0 Human 7.5 pIC50 = 7.5 Binding
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membraneDisplacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
11725751 12738 5 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 12738 5 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
10384596 10041 2 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 10041 2 None - 0 Human 7.5 pIC50 = 7.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
44394279 66814 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 66814 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
10149595 110644 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 110644 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
10287365 10473 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10473 0 None - 0 Human 5.5 pIC50 = 5.5 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
155317248 169724 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 493 6 3 4 5.3 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1 10.1016/j.bmc.2019.06.047
CHEMBL4446396 169724 0 None - 0 Human 6.5 pIC50 = 6.5 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 493 6 3 4 5.3 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(C(F)(F)F)c2)cc1 10.1016/j.bmc.2019.06.047
155317275 169100 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4437497 169100 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 482 7 2 3 6.8 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(C(F)(F)F)c2)CC1 10.1016/j.bmc.2019.06.047
155317215 191651 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 460 7 2 8 1.2 CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O 10.1039/d1md00357g
CHEMBL5205389 191651 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 460 7 2 8 1.2 CNC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)c(OC)cc2OC)c1=O 10.1039/d1md00357g
CHEMBL5071275 212484 7 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membraneDisplacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
44344194 11811 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 11811 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317261 173295 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 572 8 2 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4539520 173295 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 572 8 2 6 6.6 CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Sc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
155317260 189876 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)c1 10.1039/d1md00357g
CHEMBL5178835 189876 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1cccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)c1 10.1039/d1md00357g
118728434 117195 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401390 117195 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccn3)c2)CC1 10.1016/j.bmcl.2015.02.029
10312 1268 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 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 1268 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 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 1268 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 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
10172513 10087 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10087 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
90308914 117187 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 585 10 3 6 6.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401382 117187 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 585 10 3 6 6.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(N)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
10384596 10041 2 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10041 2 None - 0 Human 8.4 pIC50 = 8.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44341276 10011 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 10011 0 None - 0 Human 8.4 pIC50 = 8.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
155322888 191303 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 538 8 3 9 2.8 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3O)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5199972 191303 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 538 8 3 9 2.8 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3O)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
59317699 190271 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 490 9 3 9 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5184621 190271 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 490 9 3 9 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
10309271 13247 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13247 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344412 13243 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13243 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44394191 65977 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 65977 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
71547555 123053 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counterDisplacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
CHEMBL3618201 123053 1 None - 0 Human 6.4 pIC50 = 6.4 Binding
Displacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counterDisplacement of [33P]S1P from human S1P2 expressed in CHO-K1 cells by scintillation counter
ChEMBL 560 7 3 5 6.8 O=C(O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1016/j.bmcl.2015.09.022
10309022 9942 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 9942 0 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
44344413 110056 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 110056 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
90309524 117186 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 584 10 2 6 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401381 117186 0 None - 0 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 584 10 2 6 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
118728432 117193 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401388 117193 0 None - 1 Human 7.4 pIC50 = 7.4 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
44344446 114323 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 114323 0 None - 0 Human 6.4 pIC50 = 6.4 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172354 113287 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 113287 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
10193915 14070 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 14070 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
90309100 117190 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401385 117190 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 10.1016/j.bmcl.2015.02.029
155322952 191249 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 521 9 1 8 3.7 CCOc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5199020 191249 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 521 9 1 8 3.7 CCOc1ccc(C(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
11725751 12738 5 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12738 5 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10149985 13268 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13268 0 None - 0 Human 8.3 pIC50 = 8.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317268 190249 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)cc1 10.1039/d1md00357g
CHEMBL5184379 190249 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(Cl)c(OC)cc3OC)c2=O)cc1 10.1039/d1md00357g
118728425 117181 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 428 7 2 3 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401376 117181 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 428 7 2 3 6.1 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(C)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
90309142 983 0 None - 1 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
9223 983 0 None - 1 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
CHEMBL3759434 983 0 None - 1 Human 6.3 pIC50 = 6.3 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting methodDisplacement of [33P]-S1P from human S1P2 receptor expressed on CHO-K1 cell membranes after 60 mins by scintillation counting method
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1016/j.bmcl.2016.01.031
44344390 13386 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 13386 0 None - 0 Human 6.3 pIC50 = 6.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
155322902 189999 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 522 8 2 8 3.1 COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 10.1039/d1md00357g
CHEMBL5180516 189999 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 522 8 2 8 3.1 COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 10.1039/d1md00357g
10287091 10501 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10501 0 None - 0 Human 5.3 pIC50 = 5.3 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
145966230 163772 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 443 7 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 10.1016/j.bmcl.2017.12.010
CHEMBL4212397 163772 0 None - 0 Human 7.3 pIC50 = 7.3 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 443 7 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(OCC4CC4)c3)cc(C(C)C)c12 10.1016/j.bmcl.2017.12.010
10125882 165032 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 165032 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10223146 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
2917 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
CHEMBL1368758 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
25164630 191256 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 551 10 2 9 2.2 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3cccnc3)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5199083 191256 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 551 10 2 9 2.2 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCc3cccnc3)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
44344193 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44344193 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1021/jm0492507
CHEMBL334213 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1021/jm0492507
44344193 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
CHEMBL334213 114414 5 None - 0 Human 6.2 pIC50 = 6.2 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes
ChEMBL 335 17 3 2 4.8 CCCCCCCCCCCCCCNCCCP(=O)(O)O 10.1016/j.bmcl.2004.07.049
44344390 13386 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13386 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44344338 13271 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13271 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10288370 12642 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 12642 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
9824415 110067 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 110067 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172354 113287 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 113287 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317233 191363 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5200959 191363 0 None - 0 Human 8.2 pIC50 = 8.2 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 552 9 2 9 3.1 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3OC)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
10286857 167541 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 167541 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
9824415 110067 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 110067 0 None - 0 Human 5.2 pIC50 = 5.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
10308738 10174 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10174 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
155317276 174370 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 595 12 3 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4565410 174370 0 None - 0 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 595 12 3 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NCCF)cc3)c2)CC1 10.1016/j.bmc.2019.06.047
10223146 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
2917 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
CHEMBL1368758 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
10223146 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
2917 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
CHEMBL1368758 2124 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
10215741 10910 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10910 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
44341291 10042 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 10042 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
155317279 169720 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 589 9 2 5 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCN(C)C4=O)c2)CC1 10.1016/j.bmc.2019.06.047
CHEMBL4446353 169720 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 589 9 2 5 7.2 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc4c(c3)CCN(C)C4=O)c2)CC1 10.1016/j.bmc.2019.06.047
21455530 10047 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10047 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44344404 11256 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 11256 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
11725751 12738 5 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 12738 5 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 12738 5 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 12738 5 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
44394191 65977 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 65977 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
44341399 205239 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 205239 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
44394212 66834 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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 66834 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 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
10173327 10949 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 10949 0 None - 0 Human 8.1 pIC50 = 8.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
118728431 117192 0 None - 1 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401387 117192 0 None - 1 Human 8.1 pIC50 = 8.1 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
10125861 13089 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13089 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
10172546 113945 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 113945 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
10215138 13967 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 13967 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
9796603 163769 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 163769 0 None - 0 Human 7.1 pIC50 = 7.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
118728426 117182 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 448 7 2 3 6.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401377 117182 0 None - 0 Human 6.1 pIC50 = 6.1 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 448 7 2 3 6.5 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Cl)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
10172513 10087 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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 10087 0 None - 0 Human 5.1 pIC50 = 5.1 Binding
Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 2 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
168295975 192288 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 416 6 2 7 3.7 COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 10.1021/acs.jmedchem.1c01571
CHEMBL5186556 192288 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 416 6 2 7 3.7 COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 10.1021/acs.jmedchem.1c01571
CHEMBL5222022 192288 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 416 6 2 7 3.7 COc1cc(C(C)C(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1 10.1021/acs.jmedchem.1c01571
9885762 9642 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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 9642 0 None - 0 Human 8.0 pIC50 = 8.0 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 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
155317244 189738 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 534 12 3 10 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
CHEMBL5176528 189738 0 None - 0 Human 7.0 pIC50 = 7.0 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 534 12 3 10 0.6 COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NCCOCCO)c(=O)c3ccccc32)cc1Cl 10.1039/d1md00357g
118728433 117194 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401389 117194 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccnc3)c2)CC1 10.1016/j.bmcl.2015.02.029
118728428 117184 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 524 9 2 4 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
CHEMBL3401379 117184 0 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisDisplacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysis
ChEMBL 524 9 2 4 7.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1016/j.bmcl.2015.02.029
10125862 11520 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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 11520 0 None - 0 Human 7.0 pIC50 = 7 Binding
Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligandBinding affinity to human sphingosine 1-phosphate receptor 5 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
166519373 189459 0 None - 1 Human 9.3 pKd = 9.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 560 8 2 5 6.5 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5172220 189459 0 None - 1 Human 9.3 pKd = 9.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 560 8 2 5 6.5 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC4CCCCC4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
166519369 190902 0 None - 1 Human 9.2 pKd = 9.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 506 10 2 5 6.8 CCC(CC)CNC1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5193759 190902 0 None - 1 Human 9.2 pKd = 9.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 506 10 2 5 6.8 CCC(CC)CNC1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
166519341 191712 0 None - 1 Human 9.2 pKd = 9.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 617 10 1 6 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5206290 191712 0 None - 1 Human 9.2 pKd = 9.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 617 10 1 6 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N4CCN(C)CC4)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
166519371 191856 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 548 10 2 5 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5208524 191856 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 548 10 2 5 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
166519354 190067 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 535 10 2 5 6.7 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5181599 190067 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 535 10 2 5 6.7 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
166519351 191691 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 492 9 1 5 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5206026 191691 0 None - 1 Human 9.1 pKd = 9.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 492 9 1 5 6.4 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
118728432 117193 0 None - 1 Human 9.0 pKd = 9.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL3401388 117193 0 None - 1 Human 9.0 pKd = 9.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 507 9 2 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccncc3)cc(Oc3ccc(F)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
166519350 191380 0 None - 1 Human 8.9 pKd = 8.9 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 564 6 2 6 5.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5201190 191380 0 None - 1 Human 8.9 pKd = 8.9 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 564 6 2 6 5.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
168270185 189436 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 471 5 3 7 4.8 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2c(C)nn3C)cc1 10.1016/j.ejmech.2021.113923
CHEMBL5171726 189436 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 471 5 3 7 4.8 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2c(C)nn3C)cc1 10.1016/j.ejmech.2021.113923
168296653 191888 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 427 4 3 6 4.5 Cn1ncc2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5208968 191888 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 427 4 3 6 4.5 Cn1ncc2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
10271112 191034 0 None - 1 Human 5.0 pKd = 5.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 379 3 3 6 3.4 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C 10.1016/j.ejmech.2021.113923
CHEMBL5195746 191034 0 None - 1 Human 5.0 pKd = 5.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 379 3 3 6 3.4 Cc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C 10.1016/j.ejmech.2021.113923
166519359 189552 0 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 616 11 2 5 8.1 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC4CCCCC4)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5173580 189552 0 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 616 11 2 5 8.1 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC4CCCCC4)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
168292119 191425 0 None - 1 Human 5.9 pKd = 5.9 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 461 4 3 6 5.0 CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C 10.1016/j.ejmech.2021.113923
CHEMBL5201886 191425 0 None - 1 Human 5.9 pKd = 5.9 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 461 4 3 6 5.0 CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C 10.1016/j.ejmech.2021.113923
CHEMBL4871603 212303 4 None - 1 Human 7.9 pKd = 7.9 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL None None None O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc(Cl)nc(Cl)c1 10.1021/acs.jmedchem.2c00958
168270862 189337 0 None - 1 Human 5.9 pKd = 5.9 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 393 5 3 6 3.8 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
CHEMBL5170029 189337 0 None - 1 Human 5.9 pKd = 5.9 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 393 5 3 6 3.8 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
168289519 190901 0 None - 1 Human 5.8 pKd = 5.8 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 441 5 3 7 4.0 COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5193754 190901 0 None - 1 Human 5.8 pKd = 5.8 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 441 5 3 7 4.0 COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
10223146 2124 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
2917 2124 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
CHEMBL1368758 2124 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
89484779 117188 0 None - 1 Human 6.7 pKd = 6.7 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL3401383 117188 0 None - 1 Human 6.7 pKd = 6.7 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 549 10 3 5 6.7 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
168278839 190303 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 4 3 7 5.5 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(Cl)s3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5185006 190303 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 4 3 7 5.5 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(Cl)s3)c12 10.1016/j.ejmech.2021.113923
168296054 191716 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 453 6 3 8 3.9 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
CHEMBL5206352 191716 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 453 6 3 8 3.9 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
168272492 189638 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 447 4 3 6 5.2 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CCCCC3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5174961 189638 0 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 447 4 3 6 5.2 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CCCCC3)c12 10.1016/j.ejmech.2021.113923
166519360 191710 0 None - 1 Human 7.7 pKd = 7.7 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 570 8 2 6 6.1 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5206287 191710 0 None - 1 Human 7.7 pKd = 7.7 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 570 8 2 6 6.1 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(c4ccc(OC)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
168286069 190746 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 7 3 8 4.6 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
CHEMBL5191649 190746 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 7 3 8 4.6 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(OC(C)C)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
168297296 191894 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 5 3 6 4.1 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C 10.1016/j.ejmech.2021.113923
CHEMBL5209016 191894 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 5 3 6 4.1 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C)nn2C 10.1016/j.ejmech.2021.113923
168288055 191040 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 483 8 3 7 5.2 CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5195828 191040 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 483 8 3 7 5.2 CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
168293778 191575 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 473 7 3 7 4.3 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5204017 191575 0 None - 1 Human 5.6 pKd = 5.6 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 473 7 3 7 4.3 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21 10.1016/j.ejmech.2021.113923
166519346 190233 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 618 7 2 5 6.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5184083 190233 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 618 7 2 5 6.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc5ccccc5c4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
90309142 983 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1021/acs.jmedchem.2c00958
9223 983 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1021/acs.jmedchem.2c00958
CHEMBL3759434 983 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 550 9 3 5 6.8 Fc1ccc(cc1)Oc1cc(Oc2ccc(cc2)C(C(=O)O)(C)C)cc(c1)NC(=O)N1CCC(C1)(O)CC(C)C 10.1021/acs.jmedchem.2c00958
168297057 191846 0 None - 1 Human 5.5 pKd = 5.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 8 3 8 4.6 CCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5208402 191846 0 None - 1 Human 5.5 pKd = 5.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 481 8 3 8 4.6 CCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
168287249 191150 0 None - 1 Human 5.5 pKd = 5.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 482 7 3 7 4.8 CCN(CC)c1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5197394 191150 0 None - 1 Human 5.5 pKd = 5.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 482 7 3 7 4.8 CCN(CC)c1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
167312214 189646 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1021/acs.jmedchem.2c00958
CHEMBL5175095 189646 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1021/acs.jmedchem.2c00958
167312214 189646 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5175095 189646 0 None - 1 Human 7.5 pKd = 7.5 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
168282294 190458 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 423 5 3 7 3.8 COc1cc(NC(=O)NNc2cc(-c3ccccc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5187214 190458 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 423 5 3 7 3.8 COc1cc(NC(=O)NNc2cc(-c3ccccc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
168275956 190024 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 405 4 3 6 4.0 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CC3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5180962 190024 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 405 4 3 6 4.0 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C3CC3)c12 10.1016/j.ejmech.2021.113923
168282685 190419 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 412 4 3 5 4.2 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(F)cc(F)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5186737 190419 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 412 4 3 5 4.2 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(F)cc(F)c3)nc21 10.1016/j.ejmech.2021.113923
90309040 117191 0 None - 1 Human 8.4 pKd = 8.4 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL3401386 117191 0 None - 1 Human 8.4 pKd = 8.4 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 563 10 3 5 7.0 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)NC)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
155317214 192329 0 None - 1 Human 8.4 pKd = 8.4 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constantBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant
ChEMBL 644 9 2 9 3.1 COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5190929 192329 0 None - 1 Human 8.4 pKd = 8.4 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constantBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant
ChEMBL 644 9 2 9 3.1 COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 10.1021/acs.jmedchem.1c01571
CHEMBL5222272 192329 0 None - 1 Human 8.4 pKd = 8.4 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constantBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant
ChEMBL 644 9 2 9 3.1 COc1ccc(NC(=O)Cn2c(=O)c3ccccc3n(CC(=O)Nc3cc(I)c(OC)cc3OC)c2=O)cc1 10.1021/acs.jmedchem.1c01571
168278782 190135 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 403 5 3 6 3.5 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)N/C=C/c3cccnc3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5182577 190135 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 403 5 3 6 3.5 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)N/C=C/c3cccnc3)nc21 10.1016/j.ejmech.2021.113923
168278278 190524 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 495 9 3 8 5.0 CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
CHEMBL5187958 190524 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 495 9 3 8 5.0 CCCCOc1cc(NC(=O)NNc2cc(-c3ccc(OC)cc3)c3cnn(C)c3n2)cc(Cl)n1 10.1016/j.ejmech.2021.113923
168270284 189314 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 466 7 3 8 3.9 COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(OC)c1OC 10.1016/j.ejmech.2021.113923
CHEMBL5169751 189314 0 None - 1 Human 5.4 pKd = 5.4 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 466 7 3 8 3.9 COc1cc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc(OC)c1OC 10.1016/j.ejmech.2021.113923
167312214 189646 0 None - 1 Human 6.3 pKd = 6.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5175095 189646 0 None - 1 Human 6.3 pKd = 6.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 445 4 3 6 4.6 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
168278098 189699 0 None - 1 Human 5.3 pKd = 5.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 444 4 3 5 5.2 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)cc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5175844 189699 0 None - 1 Human 5.3 pKd = 5.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 444 4 3 5 5.2 Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)cc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
168292409 191278 0 None - 1 Human 8.3 pKd = 8.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 589 7 3 5 6.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5199565 191278 0 None - 1 Human 8.3 pKd = 8.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 589 7 3 5 6.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
168296067 191733 0 None - 1 Human 6.3 pKd = 6.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 457 5 3 7 4.5 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
CHEMBL5206542 191733 0 None - 1 Human 6.3 pKd = 6.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 457 5 3 7 4.5 COc1ccc(-c2cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
168291905 191431 0 None - 1 Human 5.3 pKd = 5.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 441 4 3 6 4.8 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccccc3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5201982 191431 0 None - 1 Human 5.3 pKd = 5.3 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 441 4 3 6 4.8 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccccc3)c12 10.1016/j.ejmech.2021.113923
166519349 189613 0 None - 1 Human 7.3 pKd = 7.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 562 10 1 5 6.7 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5174563 189613 0 None - 1 Human 7.3 pKd = 7.3 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 562 10 1 5 6.7 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
168283355 190217 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 560 7 4 9 5.8 Cc1ccc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc1Nc1nccc(-c2cccnc2)n1 10.1016/j.ejmech.2021.113923
CHEMBL5183850 190217 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 560 7 4 9 5.8 Cc1ccc(NC(=O)NNc2cc(-c3ccc(F)cc3)c3cnn(C)c3n2)cc1Nc1nccc(-c2cccnc2)n1 10.1016/j.ejmech.2021.113923
118728431 117192 0 None - 1 Human 8.2 pKd = 8.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL3401387 117192 0 None - 1 Human 8.2 pKd = 8.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 577 10 2 5 7.3 CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
168277641 189567 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 545 5 3 7 4.7 COc1ccc(-c2cc(NNC(=O)Nc3cc(Br)nc(Br)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
CHEMBL5173838 189567 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 545 5 3 7 4.7 COc1ccc(-c2cc(NNC(=O)Nc3cc(Br)nc(Br)c3)nc3c2cnn3C)cc1 10.1016/j.ejmech.2021.113923
168275912 189865 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 431 4 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccco3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5178705 189865 0 None - 1 Human 5.2 pKd = 5.2 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 431 4 3 7 4.4 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccco3)c12 10.1016/j.ejmech.2021.113923
168283549 190516 0 None - 1 Human 7.2 pKd = 7.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 533 6 2 5 7.0 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5187883 190516 0 None - 1 Human 7.2 pKd = 7.2 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 533 6 2 5 7.0 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 10.1021/acs.jmedchem.2c00958
166519343 191163 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 562 11 2 5 6.7 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5197668 191163 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 562 11 2 5 6.7 CCNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(CC(CC)CC)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
166519357 189716 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 501 6 2 4 7.9 O=C(Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 10.1021/acs.jmedchem.2c00958
CHEMBL5176095 189716 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 501 6 2 4 7.9 O=C(Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 10.1021/acs.jmedchem.2c00958
168288692 190762 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 393 4 3 6 3.9 CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
CHEMBL5192020 190762 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 393 4 3 6 3.9 CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
168280834 190127 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 484 6 2 5 7.2 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 10.1021/acs.jmedchem.2c00958
CHEMBL5182489 190127 0 None - 1 Human 8.1 pKd = 8.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 484 6 2 5 7.2 O=C(Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1)Nc1cc(Cl)nc(Cl)c1 10.1021/acs.jmedchem.2c00958
168296158 191924 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 455 5 3 6 4.7 Cc1c(Cc2ccccc2)c(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
CHEMBL5209490 191924 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 455 5 3 6 4.7 Cc1c(Cc2ccccc2)c(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1cnn2C 10.1016/j.ejmech.2021.113923
166519370 191302 0 None - 1 Human 7.1 pKd = 7.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 534 10 2 5 6.1 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
CHEMBL5199950 191302 0 None - 1 Human 7.1 pKd = 7.1 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 534 10 2 5 6.1 CCC(CC)CN1CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(N)=O)cc3)c2)CC1 10.1021/acs.jmedchem.2c00958
168289718 191002 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 461 5 3 6 4.8 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C 10.1016/j.ejmech.2021.113923
CHEMBL5195317 191002 0 None - 1 Human 6.1 pKd = 6.1 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 461 5 3 6 4.8 CCCc1cc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)nc2c1c(C(F)(F)F)nn2C 10.1016/j.ejmech.2021.113923
166519367 190049 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 540 7 3 5 7.1 CNC(=O)c1ccc(Oc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5181338 190049 0 None - 1 Human 8.0 pKd = 8.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 540 7 3 5 7.1 CNC(=O)c1ccc(Oc2cc(NC(=O)Nc3cc(Cl)nc(Cl)c3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
166519362 190788 0 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 586 7 2 5 5.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
CHEMBL5192337 190788 0 None - 1 Human 7.0 pKd = 7.0 Binding
Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisBinding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysis
ChEMBL 586 7 2 5 5.9 CNC(=O)c1ccc(Oc2cc(NC(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)cc(Oc3ccc(F)cc3)c2)cc1 10.1021/acs.jmedchem.2c00958
168270200 189469 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 495 4 3 6 5.5 Cn1nc(C(F)(F)F)c2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
CHEMBL5172385 189469 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 495 4 3 6 5.5 Cn1nc(C(F)(F)F)c2c(-c3ccccc3)cc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)nc21 10.1016/j.ejmech.2021.113923
168296010 191669 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 459 4 3 6 4.9 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(F)cc3)c12 10.1016/j.ejmech.2021.113923
CHEMBL5205630 191669 0 None - 1 Human 6.0 pKd = 6.0 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 459 4 3 6 4.9 Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(-c3ccc(F)cc3)c12 10.1016/j.ejmech.2021.113923
10883396 3592 39 None -11 4 Human 7.6 pKd = 7.6 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 3592 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
5283560 3592 39 None -11 4 Human 7.6 pKd = 7.6 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 3592 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
911 3592 39 None -11 4 Human 7.6 pKd = 7.6 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 3592 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
CHEMBL225155 3592 39 None -11 4 Human 7.6 pKd = 7.6 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 3592 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698