Found 99 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388467
(CHEMBL2059521)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27NO3S/c1-4-21-18(8-6-10-26(28)29)7-5-9-22(21)25-14-13-24(31-25)19-11-12-23(30-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388466
(CHEMBL2059520)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H26N2O3S/c1-4-20-17(8-6-10-24(28)29)7-5-9-21(20)23-15-27-25(31-23)18-11-12-22(30-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388465
(CHEMBL2059517)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388473
(CHEMBL2059519)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(o1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420111
(CHEMBL2059684)Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388465
(CHEMBL2059517)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420126
(CHEMBL2059518)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nc(ns1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-26-23(27-31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388467
(CHEMBL2059521)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27NO3S/c1-4-21-18(8-6-10-26(28)29)7-5-9-22(21)25-14-13-24(31-25)19-11-12-23(30-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420127
(CHEMBL2059522)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cc(no1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H26N2O4/c1-4-20-17(8-6-10-25(28)29)7-5-9-21(20)24-14-22(27-31-24)18-11-12-23(30-16(2)3)19(13-18)15-26/h5,7,9,11-14,16H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420144
(CHEMBL2059678)Show SMILES CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C22H24ClN3O3S/c1-4-16-15(6-5-7-20(27)28)11-24-12-17(16)21-25-22(30-26-21)14-8-9-19(18(23)10-14)29-13(2)3/h8-13H,4-7H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420147
(CHEMBL2059676)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(-c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H23F3N2O2S/c1-2-20-17(11-7-13-24(33)34)10-6-12-22(20)25-31-26(35-32-25)19-14-15-21(18-8-4-3-5-9-18)23(16-19)27(28,29)30/h3-6,8-10,12,14-16H,2,7,11,13H2,1H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420112
(CHEMBL2059685)Show SMILES CCc1c(CN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N3O3S/c1-4-20-19(15-33-12-10-17(11-13-33)26(34)35)6-5-7-21(20)24-31-25(37-32-24)18-8-9-23(36-16(2)3)22(14-18)27(28,29)30/h5-9,14,16-17H,4,10-13,15H2,1-3H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 15.8 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420120
(CHEMBL2057287)Show SMILES CCc1c(CCN2CC(O)C2)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C26H30N4OS/c1-4-23-18(10-11-30-15-22(31)16-30)6-5-7-24(23)25-28-26(32-29-25)20-9-8-19(12-17(2)3)21(13-20)14-27/h5-9,13,17,22,31H,4,10-12,15-16H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388467
(CHEMBL2059521)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27NO3S/c1-4-21-18(8-6-10-26(28)29)7-5-9-22(21)25-14-13-24(31-25)19-11-12-23(30-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388472
(CHEMBL2059515)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1noc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420128
(CHEMBL2059523)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnn(c1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O3/c1-4-22-18(8-6-10-25(29)30)7-5-9-23(22)20-15-27-28(16-20)21-11-12-24(31-17(2)3)19(13-21)14-26/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420137
(CHEMBL2059670)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H25F3N2O3S/c1-4-17-15(8-6-10-21(30)31)7-5-9-18(17)22-28-23(33-29-22)16-11-12-20(32-14(2)3)19(13-16)24(25,26)27/h5,7,9,11-14H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420141
(CHEMBL2059674)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H26F3N3O3S/c1-2-18-16(6-4-8-22(32)33)5-3-7-19(18)23-29-24(35-30-23)17-9-10-21(20(15-17)25(26,27)28)31-11-13-34-14-12-31/h3,5,7,9-10,15H,2,4,6,8,11-14H2,1H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 126 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420142
(CHEMBL2059675)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O2S/c1-2-19-17(9-7-11-23(33)34)8-6-10-20(19)24-30-25(35-31-24)18-12-13-22(21(16-18)26(27,28)29)32-14-4-3-5-15-32/h6,8,10,12-13,16H,2-5,7,9,11,14-15H2,1H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420146
(CHEMBL2059680)Show SMILES CCc1c(CCCC(O)=O)nccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C24H26N4O2S/c1-4-19-20(10-11-26-21(19)6-5-7-22(29)30)23-27-24(31-28-23)17-9-8-16(12-15(2)3)18(13-17)14-25/h8-11,13,15H,4-7,12H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420115
(CHEMBL2059688)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O3S/c1-4-19-16(10-11-32-13-18(14-32)25(33)34)6-5-7-20(19)23-30-24(36-31-23)17-8-9-22(35-15(2)3)21(12-17)26(27,28)29/h5-9,12,15,18H,4,10-11,13-14H2,1-3H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420117
(CHEMBL2057283)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C25H28ClN3O3S/c1-4-19-16(10-11-29-13-18(14-29)25(30)31)6-5-7-20(19)23-27-24(33-28-23)17-8-9-22(21(26)12-17)32-15(2)3/h5-9,12,15,18H,4,10-11,13-14H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420118
(CHEMBL2057284)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C26H28N4O2S/c1-4-22-19(13-30-14-21(15-30)26(31)32)6-5-7-23(22)24-28-25(33-29-24)18-9-8-17(10-16(2)3)20(11-18)12-27/h5-9,11,16,21H,4,10,13-15H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.94 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420119
(CHEMBL2057286)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C27H30N4O2S/c1-4-23-18(10-11-31-15-22(16-31)27(32)33)6-5-7-24(23)25-29-26(34-30-25)20-9-8-19(12-17(2)3)21(13-20)14-28/h5-9,13,17,22H,4,10-12,15-16H2,1-3H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420119
(CHEMBL2057286)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C27H30N4O2S/c1-4-23-18(10-11-31-15-22(16-31)27(32)33)6-5-7-24(23)25-29-26(34-30-25)20-9-8-19(12-17(2)3)21(13-20)14-28/h5-9,13,17,22H,4,10-12,15-16H2,1-3H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420135
(CHEMBL2059664)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(nn1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-26(30)31)7-5-9-22(21)24-13-12-23(28-29-24)19-11-14-25(32-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420138
(CHEMBL2059671)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O2S/c1-4-21-17(8-6-10-23(29)30)7-5-9-22(21)24-27-25(31-28-24)19-12-11-18(13-16(2)3)20(14-19)15-26/h5,7,9,11-12,14,16H,4,6,8,10,13H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420139
(CHEMBL2059672)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1cnc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O3S/c1-4-16-14(8-6-10-19(30)31)7-5-9-17(16)20-28-22(33-29-20)15-11-18(23(24,25)26)21(27-12-15)32-13(2)3/h5,7,9,11-13H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.01 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420140
(CHEMBL2059673)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(N2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H29F3N4O2S/c1-3-19-17(7-5-9-23(34)35)6-4-8-20(19)24-30-25(36-31-24)18-10-11-22(21(16-18)26(27,28)29)33-14-12-32(2)13-15-33/h4,6,8,10-11,16H,3,5,7,9,12-15H2,1-2H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420143
(CHEMBL2059677)Show SMILES CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C23H24F3N3O3S/c1-4-16-15(6-5-7-20(30)31)11-27-12-17(16)21-28-22(33-29-21)14-8-9-19(32-13(2)3)18(10-14)23(24,25)26/h8-13H,4-7H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388470
(CHEMBL2057232)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)21-15-28-26(29-16-21)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420109
(CHEMBL2059682)Show SMILES CCc1c(CN(C)C(C)(C)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C26H30F3N3O3S/c1-7-18-17(14-32(6)25(4,5)24(33)34)9-8-10-19(18)22-30-23(36-31-22)16-11-12-21(35-15(2)3)20(13-16)26(27,28)29/h8-13,15H,7,14H2,1-6H3,(H,33,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420113
(CHEMBL2059686)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H26F3N3O3S/c1-4-18-16(11-31-12-17(13-31)24(32)33)6-5-7-19(18)22-29-23(35-30-22)15-8-9-21(34-14(2)3)20(10-15)25(26,27)28/h5-10,14,17H,4,11-13H2,1-3H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420115
(CHEMBL2059688)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C26H28F3N3O3S/c1-4-19-16(10-11-32-13-18(14-32)25(33)34)6-5-7-20(19)23-30-24(36-31-23)17-8-9-22(35-15(2)3)21(12-17)26(27,28)29/h5-9,12,15,18H,4,10-11,13-14H2,1-3H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388473
(CHEMBL2059519)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(o1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.16 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388464
(CHEMBL2057285)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C29H34N4O2S/c1-4-25-20(10-13-33-14-11-21(12-15-33)29(34)35)6-5-7-26(25)27-31-28(36-32-27)23-9-8-22(16-19(2)3)24(17-23)18-30/h5-9,17,19,21H,4,10-16H2,1-3H3,(H,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420108
(CHEMBL2059681)Show SMILES CCc1c(CN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-5-17-16(12-30(4)13-21(31)32)7-6-8-18(17)22-28-23(34-29-22)15-9-10-20(33-14(2)3)19(11-15)24(25,26)27/h6-11,14H,5,12-13H2,1-4H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420113
(CHEMBL2059686)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H26F3N3O3S/c1-4-18-16(11-31-12-17(13-31)24(32)33)6-5-7-19(18)22-29-23(35-30-22)15-8-9-21(34-14(2)3)20(10-15)25(26,27)28/h5-10,14,17H,4,11-13H2,1-3H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420114
(CHEMBL2059687)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C28H32F3N3O3S/c1-4-21-18(10-13-34-14-11-19(12-15-34)27(35)36)6-5-7-22(21)25-32-26(38-33-25)20-8-9-24(37-17(2)3)23(16-20)28(29,30)31/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,35,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420116
(CHEMBL2059689)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C24H26ClN3O3S/c1-4-18-16(11-28-12-17(13-28)24(29)30)6-5-7-19(18)22-26-23(32-27-22)15-8-9-21(20(25)10-15)31-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420120
(CHEMBL2057287)Show SMILES CCc1c(CCN2CC(O)C2)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C26H30N4OS/c1-4-23-18(10-11-30-15-22(31)16-30)6-5-7-24(23)25-28-26(32-29-25)20-9-8-19(12-17(2)3)21(13-20)14-27/h5-9,13,17,22,31H,4,10-12,15-16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420125
(CHEMBL2059668)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cccc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C27H28N2O3/c1-4-22-19(9-6-13-27(30)31)8-5-10-23(22)25-12-7-11-24(29-25)20-14-15-26(32-18(2)3)21(16-20)17-28/h5,7-8,10-12,14-16,18H,4,6,9,13H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420110
(CHEMBL2059683)Show SMILES CCc1c(CCNCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-4-17-15(10-11-28-13-21(31)32)6-5-7-18(17)22-29-23(34-30-22)16-8-9-20(33-14(2)3)19(12-16)24(25,26)27/h5-9,12,14,28H,4,10-11,13H2,1-3H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420121
(CHEMBL2057288)Show SMILES CCc1c(CCN2CCCCC2)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C28H34N4S/c1-4-25-21(13-16-32-14-6-5-7-15-32)9-8-10-26(25)27-30-28(33-31-27)23-12-11-22(17-20(2)3)24(18-23)19-29/h8-12,18,20H,4-7,13-17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420109
(CHEMBL2059682)Show SMILES CCc1c(CN(C)C(C)(C)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C26H30F3N3O3S/c1-7-18-17(14-32(6)25(4,5)24(33)34)9-8-10-19(18)22-30-23(36-31-22)16-11-12-21(35-15(2)3)20(13-16)26(27,28)29/h8-13,15H,7,14H2,1-6H3,(H,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420110
(CHEMBL2059683)Show SMILES CCc1c(CCNCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-4-17-15(10-11-28-13-21(31)32)6-5-7-18(17)22-29-23(34-30-22)16-8-9-20(33-14(2)3)19(12-16)24(25,26)27/h5-9,12,14,28H,4,10-11,13H2,1-3H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420114
(CHEMBL2059687)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C28H32F3N3O3S/c1-4-21-18(10-13-34-14-11-19(12-15-34)27(35)36)6-5-7-22(21)25-32-26(38-33-25)20-8-9-24(37-17(2)3)23(16-20)28(29,30)31/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,35,36) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420118
(CHEMBL2057284)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C26H28N4O2S/c1-4-22-19(13-30-14-21(15-30)26(31)32)6-5-7-23(22)24-28-25(33-29-24)18-9-8-17(10-16(2)3)20(11-18)12-27/h5-9,11,16,21H,4,10,13-15H2,1-3H3,(H,31,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420121
(CHEMBL2057288)Show SMILES CCc1c(CCN2CCCCC2)cccc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C28H34N4S/c1-4-25-21(13-16-32-14-6-5-7-15-32)9-8-10-26(25)27-30-28(33-31-27)23-12-11-22(17-20(2)3)24(18-23)19-29/h8-12,18,20H,4-7,13-17H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388466
(CHEMBL2059520)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H26N2O3S/c1-4-20-17(8-6-10-24(28)29)7-5-9-21(20)23-15-27-25(31-23)18-11-12-22(30-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388469
(CHEMBL2059516)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.26 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388465
(CHEMBL2059517)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O3S/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)23-26-24(31-27-23)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420129
(CHEMBL2059524)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccn(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O3/c1-4-21-18(8-6-10-25(29)30)7-5-9-22(21)23-13-14-28(27-23)20-11-12-24(31-17(2)3)19(15-20)16-26/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420132
(CHEMBL2059528)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ncc(cn1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-22-18(8-6-10-25(30)31)7-5-9-23(22)26-28-15-21(16-29-26)19-11-12-24(32-17(2)3)20(13-19)14-27/h5,7,9,11-13,15-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25.1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420134
(CHEMBL2059663)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cn1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C27H28N2O3/c1-4-23-19(8-6-10-27(30)31)7-5-9-24(23)25-13-11-21(17-29-25)20-12-14-26(32-18(2)3)22(15-20)16-28/h5,7,9,11-15,17-18H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420108
(CHEMBL2059681)Show SMILES CCc1c(CN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C24H26F3N3O3S/c1-5-17-16(12-30(4)13-21(31)32)7-6-8-18(17)22-28-23(34-29-22)15-9-10-20(33-14(2)3)19(11-15)24(25,26)27/h6-11,14H,5,12-13H2,1-4H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420111
(CHEMBL2059684)Show SMILES CCc1c(CCN(C)CC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C25H28F3N3O3S/c1-5-18-16(11-12-31(4)14-22(32)33)7-6-8-19(18)23-29-24(35-30-23)17-9-10-21(34-15(2)3)20(13-17)25(26,27)28/h6-10,13,15H,5,11-12,14H2,1-4H3,(H,32,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420112
(CHEMBL2059685)Show SMILES CCc1c(CN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(c1)C(F)(F)F Show InChI InChI=1S/C27H30F3N3O3S/c1-4-20-19(15-33-12-10-17(11-13-33)26(34)35)6-5-7-21(20)24-31-25(37-32-24)18-8-9-23(36-16(2)3)22(14-18)27(28,29)30/h5-9,14,16-17H,4,10-13,15H2,1-3H3,(H,34,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420116
(CHEMBL2059689)Show SMILES CCc1c(CN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C24H26ClN3O3S/c1-4-18-16(11-28-12-17(13-28)24(29)30)6-5-7-19(18)22-26-23(32-27-22)15-8-9-21(20(25)10-15)31-14(2)3/h5-10,14,17H,4,11-13H2,1-3H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420123
(CHEMBL2059666)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccnc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-25(30)31)7-5-9-22(21)23-13-14-28-26(29-23)19-11-12-24(32-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420124
(CHEMBL2059667)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nccc(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-25(30)31)7-5-9-22(21)26-28-14-13-23(29-26)19-11-12-24(32-17(2)3)20(15-19)16-27/h5,7,9,11-15,17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50388473
(CHEMBL2059519)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nnc(o1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C24H25N3O4/c1-4-19-16(8-6-10-22(28)29)7-5-9-20(19)24-27-26-23(31-24)17-11-12-21(30-15(2)3)18(13-17)14-25/h5,7,9,11-13,15H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420130
(CHEMBL2059525)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cc([nH]n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O3/c1-4-20-17(8-6-10-25(29)30)7-5-9-21(20)23-14-22(27-28-23)18-11-12-24(31-16(2)3)19(13-18)15-26/h5,7,9,11-14,16H,4,6,8,10H2,1-3H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420133
(CHEMBL2059529)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(nc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C27H28N2O3/c1-4-23-19(8-6-10-27(30)31)7-5-9-24(23)21-11-13-25(29-17-21)20-12-14-26(32-18(2)3)22(15-20)16-28/h5,7,9,11-15,17-18H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 31.6 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388471
(CHEMBL2057282)Show SMILES CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C27H32ClN3O3S/c1-4-21-18(10-13-31-14-11-19(12-15-31)27(32)33)6-5-7-22(21)25-29-26(35-30-25)20-8-9-24(23(28)16-20)34-17(2)3/h5-9,16-17,19H,4,10-15H2,1-3H3,(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50420117
(CHEMBL2057283)Show SMILES CCc1c(CCN2CC(C2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C25H28ClN3O3S/c1-4-19-16(10-11-29-13-18(14-29)25(30)31)6-5-7-20(19)23-27-24(33-28-23)17-8-9-22(21(26)12-17)32-15(2)3/h5-9,12,15,18H,4,10-11,13-14H2,1-3H3,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420122
(CHEMBL2059665)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cc(ncn1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C26H27N3O3/c1-4-21-18(8-6-10-26(30)31)7-5-9-22(21)24-14-23(28-16-29-24)19-11-12-25(32-17(2)3)20(13-19)15-27/h5,7,9,11-14,16-17H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.16E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388466
(CHEMBL2059520)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1cnc(s1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H26N2O3S/c1-4-20-17(8-6-10-24(28)29)7-5-9-21(20)23-15-27-25(31-23)18-11-12-22(30-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.16 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420131
(CHEMBL2059526)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1c[nH]c(n1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C25H27N3O3/c1-4-20-17(8-6-10-24(29)30)7-5-9-21(20)22-15-27-25(28-22)18-11-12-23(31-16(2)3)19(13-18)14-26/h5,7,9,11-13,15-16H,4,6,8,10H2,1-3H3,(H,27,28)(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420136
(CHEMBL2059669)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C23H25ClN2O3S/c1-4-17-15(8-6-10-21(27)28)7-5-9-18(17)22-25-23(30-26-22)16-11-12-20(19(24)13-16)29-14(2)3/h5,7,9,11-14H,4,6,8,10H2,1-3H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.98 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50420145
(CHEMBL2059679)Show SMILES CCc1c(CCCC(O)=O)cncc1-c1nsc(n1)-c1ccc(CC(C)C)c(c1)C#N Show InChI InChI=1S/C24H26N4O2S/c1-4-20-18(6-5-7-22(29)30)13-26-14-21(20)23-27-24(31-28-23)17-9-8-16(10-15(2)3)19(11-17)12-25/h8-9,11,13-15H,4-7,10H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
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