Ligand source activities (1 row/activity)



Get vendors


Ligands Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Potency)		 # tested GPCRs
(Potency)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
10883396 3579 39 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 3579 39 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 3579 39 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 3579 39 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 108616 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 108616 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 153988 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 153988 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 153988 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 31389 28 None 10 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1404553 31389 28 None 10 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
977094 22623 6 None - 1 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 284 2 0 4 2.1 COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 nan
CHEMBL1328358 22623 6 None - 1 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 284 2 0 4 2.1 COc1cc2c(cc1OC)C1=C(C#N)CCC(=O)N1CC2 nan
658787 46408 18 None 9 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 2 1 4 3.4 Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 nan
CHEMBL1539075 46408 18 None 9 2 Human 5.9 pEC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 2 1 4 3.4 Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 nan
67194420 142468 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 142468 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 108230 7 None - 1 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 421 3 0 4 4.5 COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 nan
CHEMBL3208498 108230 7 None - 1 Human 5.8 pEC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 421 3 0 4 4.5 COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2 nan
1891819 36245 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 36245 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 45803 12 None 1 4 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
CHEMBL1533401 45803 12 None 1 4 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 423 8 2 6 1.9 O=S(=O)(c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1)N(CCO)CCO nan
733831 32011 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 32011 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 51517 14 None - 1 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 386 3 0 4 5.5 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 nan
CHEMBL1585097 51517 14 None - 1 Human 5.7 pEC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 386 3 0 4 5.5 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)c(Cl)c1 nan
2016176 42203 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 42203 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 39391 7 None - 1 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 353 5 0 5 1.8 Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1474501 39391 7 None - 1 Human 4.7 pEC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 353 5 0 5 1.8 Cc1cc(C(=O)CN2C(=O)C(=O)N(C)C2=O)c(C)n1Cc1ccccc1 nan
662039 20052 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 20052 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 34681 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 34681 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 85141 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 85141 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 46274 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 46274 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 31389 28 None 10 2 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1404553 31389 28 None 10 2 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 324 5 0 4 2.5 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 nan
1472014 20418 11 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 352 3 0 4 4.8 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 nan
CHEMBL1308408 20418 11 None - 1 Human 5.5 pEC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 352 3 0 4 4.8 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccc(Cl)cc1 nan
2460650 22585 9 None - 1 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 341 6 0 7 2.7 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 nan
CHEMBL1328093 22585 9 None - 1 Human 4.5 pEC50 = 4.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 341 6 0 7 2.7 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1 nan
5398663 45568 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 45568 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 45513 5 None 74 2 Human 6.5 pEC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 420 8 1 5 3.2 CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 nan
CHEMBL1530797 45513 5 None 74 2 Human 6.5 pEC50 = 6.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 420 8 1 5 3.2 CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 nan
57390239 67551 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 67551 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 35776 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 35776 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 51163 14 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 332 3 0 4 4.5 Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 nan
CHEMBL1582179 51163 14 None - 1 Human 5.4 pEC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 332 3 0 4 4.5 Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1 nan
10883396 3579 39 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 3579 39 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 3579 39 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 3579 39 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 51476 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 51476 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 28359 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 28359 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 52810 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 52810 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 33196 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 33196 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 85009 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 85009 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 85133 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 85133 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 145564 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 145564 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 149583 2 None -35481 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N nan
CHEMBL3951270 149583 2 None -35481 5 Human 5.3 pEC50 = 5.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCCO)no2)cc1C#N nan
3239161 19452 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 19452 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 154017 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 154017 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 154017 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 26223 18 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 388 5 0 4 4.2 Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 nan
CHEMBL1359777 26223 18 None - 1 Human 6.1 pEC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor of Purchased Analogues. (Class of assay: confirmatory) [Related pubchem assays: 729, 843, 854, 736 ]
ChEMBL 388 5 0 4 4.2 Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1Cc1ccccc1 nan
1472012 51434 14 None - 1 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 318 3 0 4 4.2 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 nan
CHEMBL1584523 51434 14 None - 1 Human 5.1 pEC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]
ChEMBL 318 3 0 4 4.2 O=c1c(-c2nc3ccccc3s2)cccn1Cc1ccccc1 nan
9550812 24298 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 24298 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 3312 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
9889 3312 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
CHEMBL3899384 3312 8 None -33884 5 Human 5.1 pEC50 = 5.1 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 360 4 1 6 4.0 N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CC[C@@H]2N nan
2864688 36189 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 36189 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 2924 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
5383 2924 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
8709 2924 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
CHEMBL3707247 2924 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
DB12612 2924 47 None -1621 5 Human 5.0 pEC50 = 5.0 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
ChEMBL 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C nan
164626769 185728 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 185728 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 185036 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 185036 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 185036 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 185036 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 185728 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 185728 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 185951 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 185951 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 185951 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 185951 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 184128 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 184128 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 184128 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 184128 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 183890 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 183890 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 183890 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 183890 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 184240 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 184240 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 132601 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 132601 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 212628 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 185692 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 185692 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 185692 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 185692 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 132600 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 132600 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 213519 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 42803 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 42803 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 213338 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 213624 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 184664 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 184664 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 184664 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 184664 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 46013 12 None 2 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
CHEMBL1535539 46013 12 None 2 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
663168 21903 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 21903 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 13946 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
5484463 13946 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
75463 13946 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL1197556 13946 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL576409 13946 22 None 4 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL5088734 213389 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 137185 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 137185 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 212844 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 184128 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 184128 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 64809 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 64809 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 123032 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 123032 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 14645 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 14645 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 14645 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 183798 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 183798 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 184762 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 184762 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 213380 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 213388 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 53764 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 53764 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 213477 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 137094 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 137094 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 213551 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 116983 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 116983 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 116985 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 116985 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 117167 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 117167 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 117167 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 117167 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 24175 30 None -3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
CHEMBL1341270 24175 30 None -3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
164621933 185385 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 185385 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 123037 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 123037 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 49086 7 None 138 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL1563943 49086 7 None 138 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
5863319 43264 14 None 3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
CHEMBL1508593 43264 14 None 3 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
659822 53933 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 53933 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 199248 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
CHEMBL601757 199248 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
1472216 50327 11 None 1 4 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
CHEMBL1574879 50327 11 None 1 4 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
90309206 123035 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 123035 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 185645 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 185645 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 116984 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 116984 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 35026 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 35026 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 44205 13 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 2 1 5 4.8 FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 nan
CHEMBL1519087 44205 13 None - 1 Human 4.9 pIC50 = 4.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 352 2 1 5 4.8 FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nc[nH]n3)sc2c1 nan
122190864 123037 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 123037 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 117170 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 117170 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 199248 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
CHEMBL601757 199248 34 None 1 2 Human 5.9 pIC50 = 5.9 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 207 0 0 7 -1.3 Cc1nc2c(=O)n(C)c(=O)nc-2n(C)n1 nan
663146 41818 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 41818 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 32709 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 32709 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 20516 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 20516 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
1475337 20516 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
CHEMBL1309232 20516 11 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 414 6 1 5 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1 nan
2319091 55700 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1546374 55700 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1624511 55700 3 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
11958855 30341 11 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL1393625 30341 11 None 3 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL5088730 213388 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 212628 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 212846 3 None - 1 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5091947 213551 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 184686 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 184686 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 184686 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 184686 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 117176 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 117176 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 117166 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 117166 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 27391 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL1369655 27391 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL5082556 213028 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 213718 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 184358 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 184358 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 184358 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 184358 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 185036 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 185036 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 185191 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 185191 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 123029 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 123029 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 132603 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 132603 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 184664 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 184664 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 213388 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 34682 13 None -2 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
CHEMBL1432251 34682 13 None -2 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
137377728 185191 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 185191 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 43832 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 43832 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 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
2917 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
CHEMBL1368758 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
Antagonist activity at S1P2 (unknown origin)Antagonist activity at S1P2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01066
90309435 137165 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 137165 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 137280 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 137280 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 213389 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 123036 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 123036 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 185916 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 185916 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 33505 11 None 4 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
CHEMBL1422386 33505 11 None 4 2 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
1472218 27391 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL1369655 27391 12 None 1 4 Human 5.8 pIC50 = 5.8 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 400 6 1 5 3.3 COc1ccc(NC(=O)/C(Cl)=C(/Cl)S(=O)(=O)Cc2ccccc2)cn1 nan
CHEMBL5088715 213387 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 212742 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 212742 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 20279 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 20279 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 30359 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 30359 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 66925 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 66925 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 213138 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 34682 13 None -2 4 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
CHEMBL1432251 34682 13 None -2 4 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 430 7 1 6 3.3 COc1ccc(CS(=O)(=O)/C(Cl)=C(/Cl)C(=O)Nc2ccc(OC)nc2)cc1 nan
1480237 21438 13 None - 1 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 443 5 1 4 5.1 O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 nan
CHEMBL1317987 21438 13 None - 1 Human 4.7 pIC50 = 4.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 443 5 1 4 5.1 O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 nan
CHEMBL5076177 212637 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 213028 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 212474 7 None - 1 Human 4.7 pIC50 = 4.7 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS bindingAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
5286934 49021 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 49021 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 212846 3 None - 1 Human 6.7 pIC50 = 6.7 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5080142 212884 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 213028 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 184781 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 184781 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 185275 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 185275 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 185275 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 185275 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 132602 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 132602 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 132602 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 132602 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 132602 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 132602 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 137251 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 137251 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 2115 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
2917 2115 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL1368758 2115 51 None -1 2 Human 7.7 pIC50 = 7.7 Functional
Antagonist activity at human S1P2 receptorAntagonist activity at human S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL5078844 212807 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 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
2917 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
CHEMBL1368758 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
Antagonist activity at rat S1P2 receptorAntagonist activity at rat S1P2 receptor
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.8b00294
137377865 185490 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 185490 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 185490 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 185490 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 36284 13 None 5 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL1447924 36284 13 None 5 2 Human 5.7 pIC50 = 5.7 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
44607576 47829 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 47829 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 137243 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 137243 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 213624 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 117174 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 117174 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 117181 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 117181 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 116986 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 116986 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 212948 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 212566 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 213519 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 183798 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 183798 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 183798 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 183798 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 116982 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 116982 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 49243 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 49243 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 32899 17 None 1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL1417204 32899 17 None 1 3 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL5088730 213388 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 212948 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 53431 2 None -15 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 408 6 2 3 5.2 O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 nan
CHEMBL1603615 53431 2 None -15 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 408 6 2 3 5.2 O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 nan
666746 19893 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 19893 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 72024 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 72024 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 213138 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 185916 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 185916 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 185916 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 185916 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 14522 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 14522 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 14522 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 213321 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 186014 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 186014 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 186014 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 186014 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 39075 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
CHEMBL1470979 39075 10 None - 1 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
127027731 137109 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 137109 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 212523 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 212681 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 213138 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 49446 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 49446 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 46972 18 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL1543839 46972 18 None 1 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
137377874 183911 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 183911 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 183911 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 183911 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 117182 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 117182 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 185228 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 185228 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 24438 22 None -2 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1343392 24438 22 None -2 5 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
5547949 107738 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 107738 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 117178 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 117178 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 117167 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 117167 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 36284 13 None 5 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL1447924 36284 13 None 5 2 Human 5.6 pIC50 = 5.6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 422 3 1 4 6.4 O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 nan
CHEMBL5070413 212455 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 46604 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 46604 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 213718 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 185692 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 185692 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 185951 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 185951 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 123031 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 123031 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 137312 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 137312 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 185268 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185268 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount readerAntagonist activity at recombinant human S1P2 receptor expressed in human CHO cells assessed as EC80 S1P-induced activation incubated for 4 hrs in presence of [35S]GTPgammaS by Topcount reader
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377911 185268 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185268 15 None - 1 Human 7.5 pIC50 = 7.5 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in absence of HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
54692915 45801 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 45801 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 38426 3 None -4 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
CHEMBL1465592 38426 3 None -4 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
5654285 107951 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 107951 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 33249 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 33249 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 55125 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 55125 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 55125 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 55125 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 55125 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 55517 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 55517 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 55517 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 33826 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 33826 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 132597 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 132597 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 132597 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 132597 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 185950 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 185950 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 212846 3 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium fluxAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as inhibition of calcium flux
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5082556 213028 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 123040 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 123040 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 123040 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 123040 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 213503 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 185228 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 185228 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 132601 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 132601 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 212846 3 None - 1 Human 8.5 pIC50 = 8.5 Functional
Antagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISAAntagonist activity at human S1P2 in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs by ELISA
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
90308956 137191 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 137191 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 212807 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 213338 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 183890 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 183890 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 183871 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 183871 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 184128 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 184128 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 213718 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 38415 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 38415 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 24438 22 None -2 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL1343392 24438 22 None -2 5 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 312 3 0 5 2.7 Cc1ccc(C(=O)OCn2ncc(Cl)c(Cl)c2=O)cc1 nan
CHEMBL5076031 212628 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 212532 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 185393 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 185393 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 13946 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
5484463 13946 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
75463 13946 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL1197556 13946 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
CHEMBL576409 13946 22 None 4 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 327 3 0 1 5.0 CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 nan
1474461 46972 18 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL1543839 46972 18 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 332 3 0 5 3.0 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl nan
CHEMBL5084509 213138 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 185036 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 185036 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 184686 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 184686 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 185275 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 185275 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 21903 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 21903 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 55517 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 55517 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 55517 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 35492 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 35492 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 66925 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 66925 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 213736 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 137209 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 137209 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 212532 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 30359 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 30359 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 45541 3 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
CHEMBL1531073 45541 3 None 1 2 Human 5.5 pIC50 = 5.5 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
137377721 184762 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 184762 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 184762 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 184762 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 183890 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 183890 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 184748 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 184748 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 184830 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 184830 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 184830 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 184830 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 185487 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 185487 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 213624 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 71997 9 None 2 2 Human 6.4 pIC50 = 6.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL1985061 71997 9 None 2 2 Human 6.4 pIC50 = 6.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
917237 24912 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 24912 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 32482 4 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL1413625 32482 4 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
1211724 32899 17 None 1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
CHEMBL1417204 32899 17 None 1 3 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 251 2 0 3 2.8 O=C(C#Cc1cccc([N+](=O)[O-])c1)c1ccccc1 nan
5389617 38415 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 38415 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 72024 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 72024 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 50142 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL1572967 50142 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
1288978 32266 13 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
CHEMBL1411912 32266 13 None - 1 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
1941609 24175 30 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
CHEMBL1341270 24175 30 None -3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 440 1 1 6 2.7 Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)NC(c1ccc(Cl)cc1)=N2 nan
5759185 38426 3 None -4 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
CHEMBL1465592 38426 3 None -4 5 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 4 0 6 2.8 CC(C)(C)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)n1cncn1 nan
979629 49243 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 49243 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 50142 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL1572967 50142 20 None 2 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 316 3 0 5 2.5 O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1 nan
CHEMBL5093933 213670 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 117175 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 117175 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 123038 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 123038 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 123039 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 123039 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 117175 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 117175 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 123033 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 123033 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 19941 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 19941 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 137179 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 137179 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 123038 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 123038 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 212807 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 117175 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 117175 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 185728 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 185728 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 184775 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 184775 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 185063 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 185063 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 41818 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 41818 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 45541 3 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
CHEMBL1531073 45541 3 None 1 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 349 2 0 5 4.4 O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21 nan
9550933 49086 7 None 138 2 Human 7.4 pIC50 = 7.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL1563943 49086 7 None 138 2 Human 7.4 pIC50 = 7.4 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 257 8 1 3 4.4 CCCCCCCCNc1ncnc2ccccc12 nan
CHEMBL5086993 213279 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 184664 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 184664 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 185275 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 185275 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 55700 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1546374 55700 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL1624511 55700 3 None 3 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 466 2 0 2 6.1 Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1 nan
CHEMBL5073747 212523 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 117179 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 117179 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 107738 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 107738 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 49446 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 49446 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 34185 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 34185 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 33505 11 None 4 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
CHEMBL1422386 33505 11 None 4 2 Human 5.4 pIC50 = 5.4 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 343 5 1 7 3.2 CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCCC1 nan
164609247 183798 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 183798 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 185191 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 185191 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 186014 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 186014 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 49021 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 49021 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 184358 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 184358 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 185679 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 185679 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 185490 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 185490 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 38711 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 38711 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 55825 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1596681 55825 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1625618 55825 8 None 3 2 Human 6.3 pIC50 = 6.3 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL5076177 212637 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 33826 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 33826 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 46013 12 None 2 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
CHEMBL1535539 46013 12 None 2 2 Human 5.3 pIC50 = 5.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 512 3 3 8 6.4 Cc1nn(-c2ccccc2)c2c1C(c1ccc(O)c(O)c1)N1C(=N2)C(Nc2ccccc2)=Nc2ccccc21 nan
164626769 185728 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 185728 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 212884 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 52252 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 52252 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 53933 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 53933 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 184686 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 184686 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 185385 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 185385 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 183911 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 183911 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 185268 15 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185268 15 None - 1 Human 5.3 pIC50 = 5.3 Functional
Agonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assayAgonist activity at human S1P2 receptor expressed in CHO cells assessed as calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
137377874 183911 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 183911 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 184358 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 184358 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 71997 9 None 2 2 Human 4.3 pIC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL1985061 71997 9 None 2 2 Human 4.3 pIC50 = 4.3 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 405 6 0 6 4.8 Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 nan
CHEMBL5090966 213503 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 132599 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 132599 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 132599 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 132599 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 132600 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 132600 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 185487 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 185487 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 212523 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 212523 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 123039 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 123039 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 3526 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
6996 3526 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
CHEMBL366208 3526 33 None -20 6 Human 8.2 pIC50 = 8.2 Functional
Agonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assayAgonist activity at human S1P2 expressed in CHO cells after 60 mins by [35S]GTPgammaS binding assay
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CC[C@@](COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2011.10.088
118728425 117168 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 117168 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 185490 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 185490 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 19893 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 19893 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 213503 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 184830 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 184830 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 33249 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 33249 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 184358 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 184358 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 212844 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 186014 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 186014 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 185385 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 185385 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 185385 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 185385 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 184762 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 184762 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 185916 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 185916 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 213503 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 212566 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 24912 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 24912 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 53625 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 53625 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 212948 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 117173 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 117173 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 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5982226 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6912924 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6914143 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
91972152 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1186511 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1518905 12379 3 None 81 2 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5654285 107951 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 107951 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 212628 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 123040 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 123040 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 123040 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 123040 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 185645 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 185645 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 123040 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 123040 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 137288 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 137288 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 212981 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 212807 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 183808 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 183808 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 46604 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 46604 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 213321 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 32352 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 32352 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 35492 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 35492 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 23331 9 None -1 6 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
CHEMBL1334062 23331 9 None -1 6 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
105193 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
5982226 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6912924 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
6914143 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
91972152 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1186511 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
CHEMBL1518905 12379 3 None 81 2 Human 7.2 pIC50 = 7.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 385 4 0 1 6.3 CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 nan
137377912 184748 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 184748 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 184748 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 184748 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 32482 4 None - 1 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL1413625 32482 4 None - 1 Human 6.2 pIC50 = 6.2 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 455 7 1 8 4.2 COc1ccc(OC)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c1 nan
CHEMBL5079608 212844 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 212981 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 184762 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 184762 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 42803 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 42803 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 55125 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 55125 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 55125 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 55125 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 55125 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 123031 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 123031 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 183808 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 183808 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 132598 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 132598 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 212455 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 212846 3 None - 1 Human 8.1 pIC50 = 8.1 Functional
Antagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitmentAntagonist activity against human S1P2 assessed as inhibition of beta-arrestin 2 recruitment
ChEMBL None None None C[C@H](C(=O)O)n1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O 10.1021/acs.jmedchem.1c01066
CHEMBL5093130 213624 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 30341 11 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
CHEMBL1393625 30341 11 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 388 3 2 5 4.1 Nc1nc(Cl)cc(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)n1 nan
137377799 184775 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 184775 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 184775 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 184775 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 185916 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 185916 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 184830 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 184830 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 43264 14 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
CHEMBL1508593 43264 14 None 3 2 Human 5.2 pIC50 = 5.2 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 462 5 0 4 7.4 COc1ccc(-c2c(Sc3cccc(C(F)(F)F)c3)c3ccc(OC)cc3[s+]2[O-])cc1 nan
23071977 123029 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 123029 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 132603 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 132603 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 184830 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 184830 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 24525 10 None -2 7 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL1344225 24525 10 None -2 7 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL5093933 213670 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 123036 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 123036 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 184781 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 184781 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 185490 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 185490 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 32266 13 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
CHEMBL1411912 32266 13 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 491 6 1 5 3.5 O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 nan
4492589 30677 7 None -102 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
CHEMBL1397874 30677 7 None -102 4 Human 5.1 pIC50 = 5.1 Functional
PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]PUBCHEM_BIOASSAY: Late stage counterscreen assay for S1P4 antagonists: Fluorescence dose response cell-based screening assay for antagonists of the Sphingosine 1-Phosphate Receptor 2 (S1P2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1510, AID1524, AID1692, AID1853, AID2332, AID489009, AID489017]
ChEMBL 359 3 1 2 6.1 Cc1cccc(C)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 nan
4287683 20550 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 20550 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 212844 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 981 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 981 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 981 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 137171 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 137171 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 137246 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 137246 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 212681 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 34185 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 34185 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 40077 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 40077 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 19941 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 19941 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 213718 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 117165 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 117165 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 123035 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 123035 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 20279 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 20279 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 117172 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 117172 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 185191 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 185191 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 212455 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 117169 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 117169 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 183911 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 183911 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 185268 15 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185268 15 None - 1 Human 4.1 pIC50 = 4.1 Functional
Antagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISAAntagonist activity at recombinant human S1P2 receptor in HFL1 cells assessed as inhibition of EC80 S1P-induced IL8 release incubated for 16 to 24 hrs in presence of 2% HSA by ELISA
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
5235407 39075 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
CHEMBL1470979 39075 10 None - 1 Human 6.1 pIC50 = 6.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 524 8 1 7 4.5 CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)CC1 nan
90309100 117177 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 117177 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 184686 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 184686 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 185268 15 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
CHEMBL4867946 185268 15 None - 1 Human 5.1 pIC50 = 5.1 Functional
Antagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assayAntagonist activity at human S1P2 receptor expressed in CHO cells assessed as EC80 S1P-induced calcium flux measured for 3 mins by fluorescence assay
ChEMBL 503 6 2 7 4.3 CCOc1cc(NC(=O)NCc2cc(C)c(-c3cn(C)nc3C(F)(F)F)nn2)cc(C(F)(F)F)n1 10.1021/acs.jmedchem.1c00138
164627170 185692 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 185692 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 213736 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 185951 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 185951 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 212455 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 137160 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 137160 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 185063 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 185063 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 132600 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 132600 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 132598 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 132598 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 193023 17 None 34 2 Human 7.1 pIC50 = 7.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
CHEMBL533602 193023 17 None 34 2 Human 7.1 pIC50 = 7.1 Functional
PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]PUBCHEM_BIOASSAY: Counterscreen for S1P2 Antagonists: Dose Response Cell-Based Screen to Identify Antagonists of CRE-BLA. (Class of assay: confirmatory) [Related pubchem assays: 729, 851, 736, 843 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
1720828 55825 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1596681 55825 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
CHEMBL1625618 55825 8 None 3 2 Human 5.0 pIC50 = 5.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 300 8 1 2 4.7 CCCCCCCCCn1c2c(c(=N)c3c1CCC3)CCC2 nan
3803930 193023 17 None 34 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
CHEMBL533602 193023 17 None 34 2 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 415 2 0 3 6.0 N#CC(c1cccc(Cl)c1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 nan
118728432 117180 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 117180 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 212948 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 213279 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 50327 11 None 1 4 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
CHEMBL1574879 50327 11 None 1 4 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 384 6 1 4 3.6 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccccc2)cn1 nan
44607579 43629 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 43629 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 123034 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 123034 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 53764 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 53764 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 24525 10 None -2 7 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
CHEMBL1344225 24525 10 None -2 7 Human 6.0 pIC50 = 6.0 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 398 6 1 4 3.9 COc1ccc(NC(=O)/C(Cl)=C(/Cl)[S+]([O-])Cc2ccc(C)cc2)cn1 nan
4287683 20550 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 20550 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 117171 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 117171 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 23331 9 None -1 6 Human 6.0 pIC50 = 6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
CHEMBL1334062 23331 9 None -1 6 Human 6.0 pIC50 = 6 Functional
PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Antagonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 856, 736 ]
ChEMBL 303 1 0 7 0.7 Cn1nc(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)nc1-2 nan
4269692 38711 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 38711 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 1077 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 1077 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 1077 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 3539 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
5326 3539 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
9289 3539 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
CHEMBL2336071 3539 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
DB12371 3539 40 None -6 5 Human 8.4 pEC50 = 8.4 Functional
NoneNone
Drug Central 516 9 1 4 6.8 CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C None
52938427 2924 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
5383 2924 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
8709 2924 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
CHEMBL3707247 2924 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
DB12612 2924 47 None -1621 5 Human 8.3 pEC50 = 8.3 Functional
Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrsAgonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs
Drug Central 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C None
11312 1266 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 1266 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 1602 37 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 1602 37 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 1602 37 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 1602 37 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 3579 39 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 2924 47 None -1621 5 Human 5.0 pEC50 > 5 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
5383 2924 47 None -1621 5 Human 5.0 pEC50 > 5 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
8709 2924 47 None -1621 5 Human 5.0 pEC50 > 5 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
CHEMBL3707247 2924 47 None -1621 5 Human 5.0 pEC50 > 5 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
DB12612 2924 47 None -1621 5 Human 5.0 pEC50 > 5 Functional
In a GTP&gamma;S assay.In a GTP&gamma;S assay.
Guide to Pharmacology 404 7 2 7 3.6 OCCN[C@H]1CCc2c1cccc2c1noc(n1)c1ccc(c(c1)C#N)OC(C)C 26990079
11259583 520 12 None -15848 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 520 12 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 520 12 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 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
10223146 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
2917 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
2917 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
CHEMBL1368758 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
CHEMBL1368758 2115 51 None 1 2 Rat 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12557151
10223146 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
2917 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
CHEMBL1368758 2115 51 None -1 2 Human 7.8 pIC50 = 7.8 Functional
UnclassifiedUnclassified
Guide to Pharmacology 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 12445827
90309142 981 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 981 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 981 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 Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Affinity)		 # tested GPCRs
(Affinity)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
10883396 3579 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
5283560 3579 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
911 3579 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
CHEMBL225155 3579 39 None -11 4 Human 9.2 pEC50 = 9.2 Binding
Displacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation countingDisplacement of [33P]S1P from human recombinant S1P2 receptor expressed in HEK cells by scintillation counting
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm100181s
49839234 117435 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 117435 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 12776 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 12776 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 12776 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 3579 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
5283560 3579 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
911 3579 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
CHEMBL225155 3579 39 None -11 4 Human 8.7 pEC50 = 8.7 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligandIn vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells was determined using [gamma-35S]-GTP as radioligand
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.07.030
10883396 3579 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
5283560 3579 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
911 3579 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
CHEMBL225155 3579 39 None -11 4 Human 8.5 pEC50 = 8.5 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 1)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
44392705 66318 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 66318 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 66318 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 66318 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 64530 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 64530 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 64530 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 11292 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 11292 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 11292 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 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
5283560 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
911 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
CHEMBL225155 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
Effective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assayEffective concentration against sphingosine 1-phosphate receptor 2 determined by a [c-35S]-GTP binding assay
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2005.05.097
10883396 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
5283560 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
911 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
CHEMBL225155 3579 39 None -11 4 Human 8.1 pEC50 = 8.1 Binding
In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)In vitro binding affinity towards human Sphingosine 1-phosphate receptor 2 expressed in HEK293T cells using [gamma-35S]-GTP as radioligand (Experiment 2)
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/s0960-894x(03)00812-6
44342221 11972 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 11972 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 11972 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 3579 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
5283560 3579 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
911 3579 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
CHEMBL225155 3579 39 None -11 4 Human 9.6 pIC50 = 9.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2004.02.106
10883396 3579 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
5283560 3579 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
911 3579 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
CHEMBL225155 3579 39 None -11 4 Human 9.5 pIC50 = 9.5 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1021/jm0492507
11725751 12723 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 12723 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 12723 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 12723 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 1602 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
44398069 1602 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
9908268 1602 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
CHEMBL114606 1602 37 None - 0 Human 9.1 pIC50 = 9.1 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1016/j.bmcl.2004.02.106
24812110 10635 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 10635 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 13506 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 13506 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 13085 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 13085 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 13418 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 13418 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 168756 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 168756 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 13469 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 13469 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 113932 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 113932 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 109614 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 109614 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 112396 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 112396 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 167435 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 167435 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 12677 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 12677 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 2115 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
2917 2115 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
CHEMBL1368758 2115 51 None - 1 Human 8.0 pIC50 = 8 Binding
Antagonist activity at S1P2 receptor (unknown origin)Antagonist activity at S1P2 receptor (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2015.02.029
10127776 10935 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 10935 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 110045 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 110045 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 110045 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 110045 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 110015 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 110015 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 213387 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 11241 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 11241 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 10486 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 10486 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 10528 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 10528 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 10635 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 10635 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 1602 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
44398069 1602 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
9908268 1602 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
CHEMBL114606 1602 37 None - 0 Human 6.0 pIC50 = 6.0 Binding
Displacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cellsDisplacement of [33P]sphingosine 1 phosphate from human S1P2 receptor expressed in CHO cells
ChEMBL 387 14 4 4 3.3 CCCCCCCCc1ccc(cc1)CCC(COP(=O)(O)O)(CO)N 10.1021/jm0492507
46905530 10180 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 10180 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 10032 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 10032 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 109986 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 109986 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 13074 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 13074 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 117167 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 117167 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 185228 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 185228 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 114401 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 114401 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 117176 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 117176 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 170734 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 170734 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 10135 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 10135 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 117170 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 117170 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 11796 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 11796 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 109614 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 109614 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 10917 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 10917 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 189792 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 189792 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 170659 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 170659 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 13680 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 13680 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 167531 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 167531 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 184240 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 184240 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 173420 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 173420 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 14055 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 14055 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 10458 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 10458 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 190793 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 190793 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 13380 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 13380 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 13612 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 13612 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 167517 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 167517 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 13256 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 13256 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 213736 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 189810 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 189810 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 10528 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 10528 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 13228 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 13228 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 66003 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 66003 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 9829 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
CHEMBL114584 9829 0 None - 0 Human 6.6 pIC50 = 6.6 Binding
Inhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranesInhibition of [33P]-S1P binding to human Sphingosine 1-phosphate receptor 5 expressed on CHO cell membranes
ChEMBL 385 14 4 3 3.8 CCCCCCCCc1ccc(CCC(N)(CO)CCP(=O)(O)O)cc1 10.1016/j.bmcl.2004.02.106
44344298 13418 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 13418 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 12198 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 12198 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 9519 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 9519 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 62125 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 62125 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 66819 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 66819 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 62133 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 62133 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 9904 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 9904 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 175544 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 175544 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 171147 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 171147 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 62114 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 62114 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 62115 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 62115 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 191660 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 191660 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 163120 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 163120 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 170840 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 170840 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 173025 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 173025 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 113515 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 113515 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 117178 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 117178 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 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
5283560 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
911 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
CHEMBL225155 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counterDisplacement of [32P]S1P from human recombinant S1PR2 incubated for 60 mins by competitive binding assay based scintillation counter
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1039/d1md00357g
10883396 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
5283560 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
911 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
CHEMBL225155 3579 39 None -11 4 Human 8.4 pIC50 = 8.4 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10.1016/j.bmcl.2017.12.010
89484779 117175 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 117175 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 117175 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 117175 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 11149 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 11149 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 184781 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 184781 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 62110 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 62110 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 212637 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 12723 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 12723 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 10026 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 10026 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 66799 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 66799 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 110631 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 110631 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 10458 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 10458 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 169713 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 169713 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 169089 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 169089 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 191641 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 191641 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 212474 7 None - 0 Human 5.4 pIC50 = 5.4 Binding
Displacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membraneDisplacement of sphingosine D-erythro [3-3H] I- phosphate from human S1P2 receptor expressed in CHO cell membrane
ChEMBL None None None COc1cc(OC)c(NC(=O)Cc2cn(C)c3ccccc23)cc1Cl 10.1021/acs.jmedchem.1c01066
44344194 11796 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 11796 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 173285 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 173285 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 189866 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 189866 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 117182 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 117182 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 1263 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
53358422 1263 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
CHEMBL1779732 1263 16 None - 0 Human 5.4 pIC50 = 5.4 Binding
Inhibition of S1P2 receptorInhibition of S1P2 receptor
ChEMBL 388 4 2 3 5.6 NCc1cc(C)c(c(c1)C)NC(=O)c1ccc(o1)c1cc(Cl)ccc1Cl 10.1016/j.bmcl.2011.04.097
10172513 10072 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 10072 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 117174 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 117174 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 10026 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 10026 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 9996 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 9996 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 191293 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 191293 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 190261 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 190261 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 13232 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 13232 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 13228 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 13228 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 65962 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 65962 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 123040 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 123040 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 9927 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 9927 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 110043 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 110043 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 117173 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 117173 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 117180 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 117180 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 114310 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 114310 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 113274 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 113274 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 14055 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 14055 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 117177 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 117177 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 191239 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 191239 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 12723 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 12723 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 13253 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 13253 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 190239 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 190239 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 117168 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 117168 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 981 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 981 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 981 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 13371 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 13371 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 189989 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 189989 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 10486 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 10486 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 163761 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 163761 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 165021 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 165021 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 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
2917 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
CHEMBL1368758 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in Chem1 cell membranes co-expressing Galpha15 pretreated for 30 mins followed by [32P]S1P addition measured after 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmcl.2017.12.010
25164630 191246 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 191246 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 114401 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 114401 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 114401 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 114401 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 114401 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 114401 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 13371 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 13371 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 13256 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 13256 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 12627 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 12627 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 110054 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 110054 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 113274 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 113274 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 191353 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 191353 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 167530 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 167530 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 110054 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 110054 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 10159 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 10159 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 174360 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 174360 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 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
2917 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
CHEMBL1368758 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Displacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting methodDisplacement of [32P]S1P from recombinant human S1PR2 expressed in commercial cell membranes incubated for 60 mins by scintillation counting method
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.bmc.2019.06.047
10223146 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
2917 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
CHEMBL1368758 2115 51 None - 1 Human 7.2 pIC50 = 7.2 Binding
Inhibition of S1PR2 (unknown origin)Inhibition of S1PR2 (unknown origin)
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1021/acs.jmedchem.1c01571
10215741 10895 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 10895 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 10027 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 10027 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 169709 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 169709 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 10032 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 10032 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 11241 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 11241 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 12723 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 12723 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 12723 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 12723 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 65962 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 65962 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 205229 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 205229 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 66819 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 66819 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 10934 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 10934 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 117179 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 117179 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 13074 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 13074 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 113932 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 113932 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 13952 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 13952 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 163758 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 163758 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 117169 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 117169 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 10072 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 10072 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 192278 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 192278 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 192278 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 9627 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 9627 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 189728 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 189728 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 117181 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 117181 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 117171 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 117171 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 11505 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 11505 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 189449 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 189449 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 190892 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 190892 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 191702 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 191702 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 191846 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 191846 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 190057 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 190057 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 191681 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 191681 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 117180 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 117180 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 191370 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 191370 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 189426 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 189426 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 191878 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 191878 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 191024 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 191024 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 189542 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 189542 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 191415 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 191415 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 212293 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 189327 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 189327 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 190891 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 190891 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 2115 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
2917 2115 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
CHEMBL1368758 2115 51 None - 1 Human 5.7 pKd = 5.7 Binding
Binding affinity to S1PR2 (unknown origin) by SPR assayBinding affinity to S1PR2 (unknown origin) by SPR assay
ChEMBL 407 4 3 6 4.3 O=C(Nc1cc(Cl)nc(c1)Cl)NNc1cc(C(C)C)c2c(n1)n(C)nc2C 10.1016/j.ejmech.2021.113923
89484779 117175 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 117175 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 190293 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 190293 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 191706 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 191706 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 189628 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 189628 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 191700 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 191700 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 190736 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 190736 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 191884 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 191884 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 191030 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 191030 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 191565 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 191565 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 190223 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 190223 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 981 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 981 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 981 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 191836 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 191836 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 191140 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 191140 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 189636 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 189636 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 189636 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 189636 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 190448 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 190448 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 190014 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 190014 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 190409 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 190409 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 117178 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 117178 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 192319 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 192319 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 192319 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 190125 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 190125 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 190514 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 190514 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 189304 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 189304 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 189636 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 189636 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 189689 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 189689 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 191268 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 191268 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 191723 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 191723 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 191421 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 191421 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 189603 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 189603 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 190207 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 190207 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 117179 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 117179 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 189557 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 189557 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 189855 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 189855 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 190506 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 190506 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 191153 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 191153 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 189706 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 189706 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 190752 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 190752 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 190117 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 190117 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 191914 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 191914 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 191292 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 191292 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 190992 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 190992 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 190039 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 190039 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 190778 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 190778 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 189459 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 189459 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 191659 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 191659 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 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
10883396 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
5283560 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
5283560 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
911 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
911 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698
CHEMBL225155 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 10446161
CHEMBL225155 3579 39 None -11 4 Human 7.6 pKd = 7.6 Binding
UnclassifiedUnclassified
Guide to Pharmacology 379 17 4 4 4.0 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O 9988698