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Ligand source activities (1 row/activity)
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
CHEMBL112655 | 9627 | None | 0 | Human | Binding | IC50 | = | 240.00 | 6.62 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.39 | CCCCCCCCc1ccc(CCC(N)C(O)CP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL113344 | 9736 | None | 0 | Human | Binding | IC50 | = | 9.80 | 8.01 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL114584 | 9939 | None | 2 | Human | Binding | IC50 | = | 230.00 | 6.64 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 385.2 | 14 | 4 | 3 | 3.78 | CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL114976 | 10016 | None | 0 | Human | Binding | IC50 | = | 27.00 | 7.57 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@H](N)C[C@@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115131 | 10039 | None | 0 | Human | Binding | IC50 | = | 4400.00 | 5.36 | - | 3 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 355.2 | 13 | 2 | 3 | 4.13 | CCCCCCCCc1ccc(CCC(N)CCS(=O)(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115554 | 10108 | None | 0 | Human | Binding | IC50 | = | 4.50 | 8.35 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115713 | 10138 | None | 2 | Human | Binding | IC50 | = | 33.00 | 7.48 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115713 | 10138 | None | 2 | Human | Binding | IC50 | = | 4.50 | 8.35 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL115714 | 10139 | None | 0 | Human | Binding | IC50 | = | 73.00 | 7.14 | - | 4 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes | ChEMBL | 371.2 | 13 | 4 | 3 | 3.74 | CCCCCCCCc1ccc(CC[C@H](N)C[C@H](O)P(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.02.106 | |
CHEMBL115738 | 10144 | None | 0 | Human | Binding | IC50 | = | 12.00 | 7.92 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 363.3 | 19 | 3 | 2 | 5.63 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL115738 | 10144 | None | 0 | Human | Binding | IC50 | = | 740.00 | 6.13 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 363.3 | 19 | 3 | 2 | 5.63 | CCCCCCCCCCCCCCCCNCCCP(=O)(O)O | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL115970 | 10184 | None | 0 | Human | Binding | IC50 | = | 4.00 | 8.40 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 369.2 | 14 | 3 | 3 | 4.28 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 | |
CHEMBL115970 | 10184 | None | 0 | Human | Binding | IC50 | = | 8600.00 | 5.07 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 369.2 | 14 | 3 | 3 | 4.28 | CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 | |
CHEMBL1160958 | 10248 | None | 0 | Human | Binding | IC50 | = | 140.00 | 6.85 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 339.2 | 14 | 3 | 3 | 4.76 | CCCCCCCCCc1ccc(CNCCCP(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL116140 | 10273 | None | 0 | Human | Binding | IC50 | = | 66.00 | 7.18 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 335.2 | 14 | 3 | 3 | 3.90 | CCCCCCCCCc1ccc(CNCC(O)CC(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.069 | |
CHEMBL1161691 | 10294 | None | 0 | Human | Binding | IC50 | = | 1100.00 | 5.96 | - | 5 | Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 2 expressed on CHO cell membranes | ChEMBL | 389.2 | 14 | 5 | 6 | 2.62 | CCCCCCCCc1ccc(CCC(N)(CO)CO[PH](O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.07.049 | |
CHEMBL116981 | 10576 | None | 0 | Human | Binding | IC50 | = | 2.60 | 8.59 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 389.2 | 12 | 3 | 2 | 5.13 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 | |
CHEMBL116981 | 10576 | None | 0 | Human | Binding | IC50 | = | 3400.00 | 5.47 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 389.2 | 12 | 3 | 2 | 5.13 | CCCCCCc1ccc(-c2ccc(CNCCCP(=O)(O)O)cc2)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 | |
CHEMBL117007 | 10604 | None | 0 | Human | Binding | IC50 | = | 110.00 | 6.96 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 371.2 | 14 | 4 | 3 | 4.13 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 | |
CHEMBL117007 | 10604 | None | 0 | Human | Binding | IC50 | = | 5400.00 | 5.27 | - | 4 | Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand | ChEMBL | 371.2 | 14 | 4 | 3 | 4.13 | CCCCCCCCC(O)c1ccc(CNCCCP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2004.04.070 |
Showing 1 to 20 of 244 entries
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
Ligands | Receptor | Activity | Chemical information | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Common name | GPCRdb ID | Reference ligand | Vendors | Species | Assay Type | Activity Type | Activity Relation | Activity Value | p-value (-log) | Fold selectivity | Tested GPCRs | Assay Description | Source | Mol weight | Rot Bonds | H don | H acc | LogP | Smiles | DOI | |
(S)-FTY720-phosphate | 3596 | None | 37 | Human | Functional | IC50 | = | 5.90 | 8.23 | -20 | 6 | Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay | ChEMBL | 387.2 | 14 | 4 | 4 | 3.32 | CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1 | https://dx.doi.org/10.1016/j.bmcl.2011.10.088 | |
AUY954 | 524 | None | 19 | Mouse | Functional | pEC50 | None | - | 4.85 | -15848 | 7 | Unclassified | Guide to Pharmacology | 455.1 | 7 | 2 | 3 | 6.82 | O=C(O)CCNCc1ccc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2c1 | https://pubmed.ncbi.nlm.nih.gov/17114004 | |
CHEMBL1186511 | 12504 | None | 3 | Human | Functional | IC50 | = | 587.00 | 6.23 | 81 | 2 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] | ChEMBL | 385.3 | 4 | 0 | 1 | 6.34 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | - | |
CHEMBL1186511 | 12504 | None | 3 | Human | Functional | IC50 | = | 64.00 | 7.19 | 81 | 2 | 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 | 385.3 | 4 | 0 | 1 | 6.34 | CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | - | |
CHEMBL1197556 | 14080 | None | 19 | Human | Functional | IC50 | = | 1081.00 | 5.97 | 4 | 2 | 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 | 327.2 | 3 | 0 | 1 | 5.04 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | - | |
CHEMBL1197556 | 14080 | None | 19 | Human | Functional | IC50 | = | 3104.00 | 5.51 | 4 | 2 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] | ChEMBL | 327.2 | 3 | 0 | 1 | 5.04 | CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 | - | |
CHEMBL1206181 | 14712 | None | 0 | Human | Functional | IC50 | = | 24000.00 | 4.62 | -54 | 4 | Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay | ChEMBL | 608.3 | 17 | 2 | 5 | 9.50 | CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 | https://dx.doi.org/10.1016/j.bmc.2007.02.048 | |
CHEMBL1207343 | 14835 | None | 0 | Human | Functional | IC50 | = | 11000.00 | 4.96 | -87 | 4 | Antagonist activity at human S1P2 receptor expressed in CHO cell membrane by FLIPR assay | ChEMBL | 612.2 | 17 | 3 | 7 | 6.93 | CCCCOc1ccc(Sc2ccc(-c3ccccc3C(O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 | https://dx.doi.org/10.1016/j.bmc.2007.02.048 | |
CHEMBL1300662 | 19674 | None | 9 | Human | Functional | EC50 | = | 64450.00 | 4.19 | -10 | 3 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ] | ChEMBL | 278.1 | 2 | 0 | 6 | 1.07 | C=CCn1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21 | - | |
CHEMBL1304169 | 20115 | None | 6 | Human | Functional | IC50 | = | 2369.00 | 5.62 | - | 1 | 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 | 2 | 1 | 6 | 4.84 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | - | |
CHEMBL1304169 | 20115 | None | 6 | Human | Functional | IC50 | = | 5088.00 | 5.29 | - | 1 | 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 | 2 | 1 | 6 | 4.84 | Cn1c(-c2c(N)n(C3CCCC3)c3nc4ccccc4nc23)nc2ccccc21 | - | |
CHEMBL1304582 | 20163 | None | 5 | Human | Functional | IC50 | = | 810.00 | 6.09 | 5 | 2 | 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 | 405.2 | 3 | 1 | 6 | 3.30 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | - | |
CHEMBL1304582 | 20163 | None | 5 | Human | Functional | IC50 | = | 3905.00 | 5.41 | 5 | 2 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] | ChEMBL | 405.2 | 3 | 1 | 6 | 3.30 | Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1 | - | |
CHEMBL1305537 | 20274 | None | 5 | Human | Functional | EC50 | = | 2413.00 | 5.62 | - | 1 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ] | ChEMBL | 417.2 | 5 | 2 | 7 | 3.47 | CCC(C)NC(=O)c1c(N)n(Cc2ccc3c(c2)OCO3)c2nc3ccccc3nc12 | - | |
CHEMBL1307319 | 20501 | None | 0 | Human | Functional | IC50 | = | 83760.00 | 4.08 | -3 | 5 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] | ChEMBL | 420.2 | 5 | 0 | 7 | 4.29 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | - | |
CHEMBL1307319 | 20501 | None | 0 | Human | Functional | IC50 | = | 1802.00 | 5.74 | -3 | 5 | 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 | 420.2 | 5 | 0 | 7 | 4.29 | CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1 | - | |
CHEMBL1308408 | 20640 | None | 8 | Human | Functional | EC50 | = | 2889.00 | 5.54 | - | 1 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ] | ChEMBL | 352.0 | 3 | 0 | 4 | 4.83 | O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 | - | |
CHEMBL1309232 | 20738 | None | 9 | Human | Functional | IC50 | = | 1430.00 | 5.84 | 1 | 4 | 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 | 414.0 | 6 | 1 | 5 | 3.60 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | - | |
CHEMBL1309232 | 20738 | None | 9 | Human | Functional | IC50 | = | 1484.00 | 5.83 | 1 | 4 | PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ] | ChEMBL | 414.0 | 6 | 1 | 5 | 3.60 | COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 | - | |
CHEMBL1309450 | 20772 | None | 8 | Human | Functional | IC50 | = | 793.00 | 6.10 | - | 1 | 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 | 543.3 | 5 | 2 | 3 | 6.62 | O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1 | - |
Showing 1 to 20 of 472 entries