Ligand source activities (1 row/activity)



Get vendors


Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb
ID		 #Vendors

 Reference
ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 AssayType

 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
10883396 10421 45 None -2 15 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 10421 45 None -2 15 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 10421 45 None -2 15 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 10421 45 None -2 15 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 115893 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 115893 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 161316 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 161316 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 161316 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 38393 30 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 38393 30 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 29612 9 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 29612 9 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 53460 23 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 53460 23 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 149790 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 149790 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 115507 8 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 115507 8 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 43264 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 43264 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 52852 13 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 52852 13 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 39016 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 39016 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 58583 16 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 58583 16 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 49237 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 49237 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 46418 6 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 46418 6 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 27039 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 27039 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 41694 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 41694 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 92356 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 92356 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 53326 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 53326 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 38393 30 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 38393 30 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 27405 12 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 27405 12 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 29574 13 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 29574 13 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 52616 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 52616 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 52559 6 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 52559 6 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 74683 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 74683 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 42794 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 42794 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 58227 16 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 58227 16 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 10421 45 None -2 15 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 10421 45 None -2 15 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 10421 45 None -2 15 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 10421 45 None -2 15 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 58542 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 58542 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 35359 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 35359 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 59879 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 59879 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 40204 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 40204 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 92223 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 92223 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 92348 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 92348 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 152887 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 152887 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 156907 4 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 156907 4 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 26439 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 26439 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 161345 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 161345 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 161345 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 33215 22 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 33215 22 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 58500 17 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 58500 17 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 31289 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 31289 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 10149 12 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 10149 12 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 10149 12 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 43208 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 43208 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 193099 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 193099 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 192407 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 192407 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 192407 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 192407 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 193099 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 193099 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 193322 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 193322 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 193322 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 193322 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 191500 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 191500 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 191500 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 191500 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 191261 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 191261 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 191261 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 191261 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 191612 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 191612 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 139913 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 139913 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 221188 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 193063 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 193063 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 193063 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 193063 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 139912 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 139912 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 222082 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 49838 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 49838 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 221901 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 222188 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 192035 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 192035 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 192035 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 192035 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 53063 13 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 53063 13 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 28890 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 28890 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 20847 25 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 20847 25 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 20847 25 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 20847 25 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 20847 25 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 221952 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 144501 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 144501 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 221405 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 191500 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 191500 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 71929 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 71929 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 130340 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 130340 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 21601 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 21601 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 21601 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 191169 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 191169 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 192133 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 192133 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 221943 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 221951 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 60838 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 60838 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 222040 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 144410 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 144410 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 222114 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 124277 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 124277 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 124279 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 124279 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 124461 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 124461 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 124461 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 124461 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 31166 34 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 31166 34 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 192756 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 192756 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 130345 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 130345 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 56140 6 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 56140 6 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 50299 16 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 50299 16 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 61007 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 61007 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 207722 38 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 207722 38 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 57387 12 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 57387 12 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 130343 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 130343 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 193016 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 193016 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 124278 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 124278 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 42041 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 42041 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 51245 16 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 51245 16 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 130345 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 130345 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 124464 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 124464 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 207722 38 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 207722 38 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 48852 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 48852 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 39717 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 39717 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 27503 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 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 27503 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 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
1475337 27503 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 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 27503 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 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
2319091 62780 2 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 62780 2 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 62780 2 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 37344 13 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 37344 13 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 221951 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 221188 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 221407 5 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 222114 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 192057 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 192057 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 192057 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 192057 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 124470 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 124470 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 124460 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 124460 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 34386 13 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 34386 13 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 221589 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 222283 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 191730 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 191730 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 191730 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 191730 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 192407 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 192407 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 192562 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 192562 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 130337 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 130337 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 139915 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 139915 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 192035 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 192035 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 221951 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 41695 14 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 41695 14 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 192562 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 192562 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 50871 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 50871 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 8936 60 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 8936 60 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 8936 60 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 144481 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 144481 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 144596 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 144596 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 221952 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 130344 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 130344 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 193287 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 193287 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 40516 12 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 40516 12 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 34386 13 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 34386 13 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 221950 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 221302 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 221302 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 27266 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 27266 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 37362 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 37362 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 74050 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 74050 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 221700 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 41695 14 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 41695 14 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 28425 16 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 28425 16 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 221197 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 221589 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 221034 6 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 56075 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 56075 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 221407 5 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 221445 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 221589 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 192152 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 192152 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 192646 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 192646 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 192646 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 192646 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 139914 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 139914 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 139914 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 139914 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 139914 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 139914 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 144567 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 144567 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 8936 60 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 8936 60 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 8936 60 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 221368 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 8936 60 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 8936 60 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 8936 60 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 192861 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 192861 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 192861 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 192861 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 43303 15 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 43303 15 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 54882 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 54882 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 144559 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 144559 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 222188 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 124468 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 124468 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 124475 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 124475 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 124280 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 124280 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 221509 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 221126 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 222082 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 191169 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 191169 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 191169 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 191169 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 124276 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 124276 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 56297 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 56297 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 39907 20 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 39907 20 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 221951 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 221509 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 60502 3 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 60502 3 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 26880 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 26880 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 79159 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 79159 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 221700 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 193287 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 193287 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 193287 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 193287 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 21478 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 21478 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 21478 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 221884 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 193385 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 193385 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 193385 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 193385 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 46101 11 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 46101 11 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 144425 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 144425 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 221083 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 221241 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 221700 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 56503 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 56503 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 54025 20 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 54025 20 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 191282 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 191282 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 191282 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 191282 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 124476 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 124476 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 192599 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 192599 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 31429 24 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 31429 24 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 115014 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 115014 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 124472 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 124472 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 124461 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 124461 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 43303 15 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 43303 15 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 221015 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 53656 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 53656 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 222283 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 193063 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 193063 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 193322 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 193322 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 130339 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 130339 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 144628 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 144628 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 192639 22 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 192639 22 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 192639 22 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 192639 22 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 52850 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 52850 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 45451 5 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 45451 5 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 115227 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 115227 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 40257 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 40257 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 62202 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 62202 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 62202 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 62202 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 62202 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 62595 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 62595 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 62595 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 40837 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 40837 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 139909 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 139909 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 139909 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 139909 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 193321 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 193321 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 221407 5 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 221589 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 130348 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 130348 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 130348 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 130348 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 222066 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 192599 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 192599 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 139913 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 139913 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 221407 5 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 144507 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 144507 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 221368 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 221901 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 191261 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 191261 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 191242 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 191242 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 191500 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 191500 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 222283 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 45440 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 45440 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 31429 24 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 31429 24 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 221188 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 221092 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 192764 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 192764 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 20847 25 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 20847 25 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 20847 25 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 20847 25 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 20847 25 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 54025 20 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 54025 20 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 221700 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 192407 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 192407 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 192057 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 192057 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 192646 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 192646 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 28890 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 28890 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 62595 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 62595 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 62595 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 42509 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 42509 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 74050 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 74050 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 222301 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 144525 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 144525 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 221092 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 37362 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 37362 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 52588 4 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 52588 4 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 192133 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 192133 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 192133 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 192133 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 191261 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 191261 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 192119 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 192119 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 192201 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 192201 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 192201 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 192201 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 192858 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 192858 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 222188 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 79132 10 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 79132 10 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 31903 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 31903 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 39490 5 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 39490 5 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 39907 20 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 39907 20 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 45440 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 45440 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 79159 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 79159 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 57202 22 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 57202 22 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 39271 14 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 39271 14 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 31166 34 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 31166 34 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 45451 5 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 45451 5 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 56297 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 56297 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 57202 22 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 57202 22 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 222234 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 124469 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 124469 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 130346 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 130346 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 130347 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 130347 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 124469 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 124469 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 130341 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 130341 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 26928 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 26928 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 144495 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 144495 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 130346 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 130346 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 221368 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 124469 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 124469 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 193099 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 193099 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 192146 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 192146 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 192434 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 192434 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 48852 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 48852 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 52588 4 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 52588 4 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 56140 6 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 56140 6 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 221841 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 192035 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 192035 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 192646 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 192646 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 62780 2 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 62780 2 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 62780 2 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 221083 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 124473 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 124473 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 115014 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 115014 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 56503 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 56503 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 41197 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 41197 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 40516 12 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 40516 12 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 191169 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 191169 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 192562 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 192562 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 193385 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 193385 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 56075 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 56075 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 191730 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 191730 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 193050 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 193050 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 192861 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 192861 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 45736 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 45736 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 62906 10 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 62906 10 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 62906 10 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 221197 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 40837 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 40837 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 53063 13 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 53063 13 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 193099 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 193099 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 221445 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 59321 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 59321 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 61007 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 61007 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 192057 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 192057 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 192756 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 192756 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 191282 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 191282 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 192639 22 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 192639 22 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 191282 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 191282 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 191730 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 191730 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 79132 10 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 79132 10 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 222066 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 139911 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 139911 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 139911 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 139911 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 139912 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 139912 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 192858 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 192858 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 221083 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 221083 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 130347 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 130347 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 10368 39 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 10368 39 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 10368 39 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 124462 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 124462 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 192861 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 192861 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 26880 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 26880 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 222066 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 192201 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 192201 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 40257 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 40257 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 191730 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 191730 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 221405 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 193385 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 193385 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 192756 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 192756 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 192756 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 192756 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 192133 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 192133 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 193287 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 193287 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 222066 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 221126 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 31903 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 31903 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 60697 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 60697 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 221509 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 124467 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 124467 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 115227 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 115227 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 221188 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 130348 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 130348 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 130348 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 130348 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 193016 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 193016 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 130348 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 130348 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 144604 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 144604 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 221542 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 221368 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 191179 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 191179 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 53656 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 53656 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 221884 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 39357 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 39357 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 42509 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 42509 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 30321 8 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 30321 8 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 19272 5 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 192119 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 192119 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 192119 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 192119 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 39490 5 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 39490 5 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 221405 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 221542 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 192133 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 192133 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 49838 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 49838 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 62202 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 62202 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 62202 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 62202 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 62202 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 130339 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 130339 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 191179 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 191179 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 139910 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 139910 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 221015 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 221407 5 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 222188 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 37344 13 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 37344 13 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 192146 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 192146 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 192146 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 192146 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 193287 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 193287 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 192201 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 192201 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 50299 16 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 50299 16 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 130337 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 130337 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 139915 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 139915 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 192201 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 192201 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 31516 11 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 31516 11 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 222234 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 130344 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 130344 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 192152 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 192152 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 192861 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 192861 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 39271 14 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 39271 14 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 37681 6 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 37681 6 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 27537 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 27537 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 221405 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 7785 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 7785 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 7785 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 144487 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 144487 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 144562 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 144562 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 221241 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 41197 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 41197 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 47107 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 47107 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 26928 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 26928 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 222283 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 124459 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 124459 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 130343 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 130343 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 27266 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 27266 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 124466 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 124466 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 192562 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 192562 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 221015 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 124463 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 124463 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 191282 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 191282 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 192639 22 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 192639 22 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 46101 11 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 46101 11 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 124471 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 124471 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 192057 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 192057 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 192639 22 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 192639 22 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 193063 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 193063 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 222301 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 193322 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 193322 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 221015 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 144476 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 144476 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 192434 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 192434 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 139912 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 139912 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 139910 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 139910 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 201479 23 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 201479 23 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 62906 10 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 62906 10 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 62906 10 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 201479 23 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 201479 23 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 124474 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 124474 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 221509 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 221841 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 57387 12 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 57387 12 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 50666 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 50666 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 130342 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 130342 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 60838 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 60838 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 31516 11 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 31516 11 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 27537 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 27537 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 124465 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 124465 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 30321 8 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 30321 8 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 45736 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 45736 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 7884 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 7884 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 7884 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 10381 43 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 10381 43 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 10381 43 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 10381 43 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 10381 43 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 8080 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 8080 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 8421 43 None -56 7 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 8421 43 None -56 7 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 8421 43 None -56 7 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 8421 43 None -56 7 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 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
10883396 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
5283560 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
5283560 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
911 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
911 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
CHEMBL225155 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 11705398
CHEMBL225155 10421 45 None -2 15 Human 8.3 pEC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 17114004
10883396 10421 45 None -1 15 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 10421 45 None -1 15 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 10421 45 None -1 15 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 10421 45 None -1 15 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 9758 55 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 7312 17 None -15848 7 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 7312 17 None -15848 7 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 7312 17 None -15848 7 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 7785 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 7785 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 7785 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


Get vendors


Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
Sel. page Similar-
ity		 Common
name		 GPCRdb
ID		 #Vendors

 Reference
ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 Assay
Type		 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
10883396 10421 45 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 10421 45 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 10421 45 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 10421 45 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 124729 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 124729 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 19672 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 19672 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 19672 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 73440 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 73440 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 73440 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 73440 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 71650 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 71650 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 71650 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 18184 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 18184 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 18184 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 18865 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 18865 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 18865 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 19619 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 19619 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 19619 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 19619 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 8421 43 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 8421 43 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 8421 43 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 8421 43 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 17522 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 17522 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 20404 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 20404 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 19983 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 19983 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 20316 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 20316 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 176112 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 176112 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 20367 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 20367 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 121221 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 121221 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 116893 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 116893 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 119685 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 119685 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 174788 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 174788 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 19573 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 19573 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 8936 60 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 8936 60 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 8936 60 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 17825 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 17825 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 117324 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 117324 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 117324 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 117324 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 117294 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 117294 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 221950 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 18133 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 18133 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 17373 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 17373 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 17415 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 17415 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 17522 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 17522 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 8421 43 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 8421 43 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 8421 43 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 8421 43 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 17064 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 17064 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 16914 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 16914 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 117265 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 117265 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 19972 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 19972 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 124461 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 124461 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 192599 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 192599 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 121690 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 121690 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 124470 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 124470 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 178089 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 178089 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 17018 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 17018 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 124464 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 124464 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 18688 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 18688 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 116893 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 116893 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 17807 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 17807 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 197175 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 197175 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 178014 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 178014 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 20579 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 20579 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 174884 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 174884 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 191612 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 191612 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 180781 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 180781 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 20957 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 20957 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 17345 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 17345 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 198176 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 198176 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 20278 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 20278 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 20511 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 20511 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 174870 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 174870 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 20154 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 20154 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 222301 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 197193 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 197193 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 17415 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 17415 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 20126 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 20126 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 73124 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 73124 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 16709 1 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 16709 1 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 20316 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 20316 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 19091 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 19091 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 16397 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 16397 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 69243 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 69243 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 73944 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 73944 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 69251 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 69251 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 16786 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 16786 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 182907 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 182907 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 178502 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 178502 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 69232 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 69232 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 69233 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 69233 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 199047 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 199047 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 170462 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 170462 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 178195 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 178195 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 180386 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 180386 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 120804 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 120804 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 124472 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 124472 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 124469 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 124469 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 124469 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 124469 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 18041 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 18041 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 192152 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 192152 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 69228 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 69228 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 221197 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 19619 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 19619 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 16908 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 16908 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 73924 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 73924 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 117909 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 117909 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 17345 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 17345 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 177071 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 177071 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 176446 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 176446 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 199028 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 199028 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 221034 6 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 18688 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 18688 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 180646 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 180646 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 197249 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 197249 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 124476 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 124476 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 8077 27 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 8077 27 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 8077 27 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 16954 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 16954 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 124468 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 124468 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 16908 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 16908 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 16878 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 16878 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 198679 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 198679 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 197644 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 197644 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 20130 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 20130 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 20126 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 20126 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 73083 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 73083 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 130348 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 130348 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 16809 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 16809 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 117322 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 117322 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 124467 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 124467 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 124474 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 124474 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 121599 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 121599 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 120563 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 120563 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 20957 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 20957 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 124471 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 124471 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 198624 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 198624 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 19619 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 19619 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 20151 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 20151 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 197622 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 197622 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 124462 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 124462 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 7785 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 7785 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 7785 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 20269 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 20269 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 197372 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 197372 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 17373 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 17373 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 171103 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 171103 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 172363 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 172363 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 8936 60 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 8936 60 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 8936 60 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 198631 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 198631 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 121690 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 121690 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 121690 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 121690 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 121690 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 121690 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 20269 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 20269 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 20154 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 20154 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 19523 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 19523 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 117333 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 117333 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 120563 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 120563 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 198739 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 198739 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 174883 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 174883 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 117333 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 117333 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 17043 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 17043 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 181721 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 181721 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 8936 60 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 17785 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 17785 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 16909 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 16909 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 177067 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 177067 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 16914 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 16914 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 18133 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 18133 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 19619 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 19619 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 19619 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 19619 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 73083 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 73083 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 213746 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 213746 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 73944 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 73944 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 17824 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 17824 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 124473 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 124473 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 19972 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 19972 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 121221 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 121221 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 20853 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 20853 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 171100 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 171100 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 124463 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 124463 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 16954 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 16954 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 199669 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 199669 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 199669 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 16506 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 16506 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 197111 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 197111 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 124475 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 124475 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 124465 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 124465 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 18397 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 18397 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 196831 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 196831 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 198277 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 198277 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 199089 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 199089 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 199233 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 199233 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 197440 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 197440 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 199068 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 199068 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 124474 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 124474 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 198756 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 198756 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 196808 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 196808 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 199265 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 199265 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 198409 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 198409 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 196924 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 196924 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 198802 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 198802 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 220853 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 196709 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 196709 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 198276 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 198276 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 8936 60 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 8936 60 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 8936 60 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 124469 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 124469 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 197676 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 197676 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 199093 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 199093 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 197011 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 197011 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 199087 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 199087 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 198119 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 198119 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 199271 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 199271 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 198415 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 198415 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 198952 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 198952 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 197606 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 197606 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 7785 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 7785 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 7785 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 199223 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 199223 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 198525 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 198525 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 197019 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 197019 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 197019 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 197019 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 197831 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 197831 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 197397 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 197397 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 197792 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 197792 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 124472 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 124472 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 199710 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 199710 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 199710 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 197508 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 197508 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 197897 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 197897 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 196685 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 196685 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 197019 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 197019 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 197072 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 197072 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 198654 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 198654 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 199110 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 199110 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 198808 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 198808 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 196986 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 196986 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 197590 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 197590 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 124473 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 124473 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 196939 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 196939 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 197238 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 197238 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 197889 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 197889 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 198538 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 198538 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 197089 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 197089 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 198135 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 198135 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 197500 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 197500 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 199301 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 199301 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 198678 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 198678 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 198377 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 198377 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 197422 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 197422 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 198161 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 198161 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 196841 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 196841 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 199046 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 199046 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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 10421 45 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