Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047121 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 |
|---|
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149555
(CHEMBL3770278)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc(C)c(CC(O)=O)c1C Show InChI InChI=1S/C18H19ClN4O3S/c1-9(2)26-15-6-5-12(7-14(15)19)17-20-21-18(27-17)23-11(4)13(8-16(24)25)10(3)22-23/h5-7,9H,8H2,1-4H3,(H,24,25) | 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 | 1.59E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50419202
(CHEMBL1836169)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc2CN(CCC(O)=O)CCc2c1C Show InChI InChI=1S/C25H26N4O4/c1-15(2)32-22-7-5-17(12-19(22)13-26)25-27-24(28-33-25)21-6-4-18-14-29(11-9-23(30)31)10-8-20(18)16(21)3/h4-7,12,15H,8-11,14H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149557
(CHEMBL3769716)Show InChI InChI=1S/C17H18ClN5OS/c1-10(2)24-15-4-3-11(7-13(15)18)16-20-21-17(25-16)23-9-12-8-19-6-5-14(12)22-23/h3-4,7,9-10,19H,5-6,8H2,1-2H3 | 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 at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149558
(CHEMBL3771116)Show InChI InChI=1S/C17H18ClN5OS/c1-10(2)24-15-4-3-11(7-13(15)18)16-21-22-17(25-16)23-14-5-6-19-8-12(14)9-20-23/h3-4,7,9-10,19H,5-6,8H2,1-2H3 | 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 | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149559
(CHEMBL3769705)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCNCc2c1C Show InChI InChI=1S/C18H20ClN5OS/c1-10(2)25-16-5-4-12(8-14(16)19)17-21-22-18(26-17)24-11(3)13-9-20-7-6-15(13)23-24/h4-5,8,10,20H,6-7,9H2,1-3H3 | 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 | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149560
(CHEMBL3770025)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1cc2CNCCc2n1 Show InChI InChI=1S/C18H18N6OS/c1-11(2)25-16-4-3-12(7-13(16)8-19)17-21-22-18(26-17)24-10-14-9-20-6-5-15(14)23-24/h3-4,7,10-11,20H,5-6,9H2,1-2H3 | 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 at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149561
(CHEMBL3770578)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCNCc2c1C Show InChI InChI=1S/C19H20N6OS/c1-11(2)26-17-5-4-13(8-14(17)9-20)18-22-23-19(27-18)25-12(3)15-10-21-7-6-16(15)24-25/h4-5,8,11,21H,6-7,10H2,1-3H3 | 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 | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149562
(CHEMBL3770966)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CNCCc2c1C Show InChI InChI=1S/C19H20N6OS/c1-11(2)26-17-5-4-13(8-14(17)9-20)18-22-23-19(27-18)25-12(3)15-6-7-21-10-16(15)24-25/h4-5,8,11,21H,6-7,10H2,1-3H3 | 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 | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149563
(CHEMBL3770368)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCN(CC(O)=O)Cc2c1C Show InChI InChI=1S/C21H22N6O3S/c1-12(2)30-18-5-4-14(8-15(18)9-22)20-23-24-21(31-20)27-13(3)16-10-26(11-19(28)29)7-6-17(16)25-27/h4-5,8,12H,6-7,10-11H2,1-3H3,(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 | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149564
(CHEMBL3769584)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1 Show InChI InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-22-23-20(30-19)26-11-14-10-25(8-6-18(27)28)7-5-16(14)24-26/h3-4,9,11-12H,5-8,10H2,1-2H3,(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 | 4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149566
(CHEMBL3769933)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C21H24ClN5O3S/c1-12(2)30-18-5-4-14(10-16(18)22)20-23-24-21(31-20)27-13(3)15-11-26(9-7-19(28)29)8-6-17(15)25-27/h4-5,10,12H,6-9,11H2,1-3H3,(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 | 1.60 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149567
(CHEMBL3770458)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1cc2CN(CCC(O)=O)CCc2n1 Show InChI InChI=1S/C21H22N6O3S/c1-13(2)30-18-4-3-14(9-15(18)10-22)20-23-24-21(31-20)27-12-16-11-26(8-6-19(28)29)7-5-17(16)25-27/h3-4,9,12-13H,5-8,11H2,1-2H3,(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 | 5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149568
(CHEMBL3770858)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1nc2CCN(CCC(O)=O)Cc2c1C Show InChI InChI=1S/C22H24N6O3S/c1-13(2)31-19-5-4-15(10-16(19)11-23)21-24-25-22(32-21)28-14(3)17-12-27(9-7-20(29)30)8-6-18(17)26-28/h4-5,10,13H,6-9,12H2,1-3H3,(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 | 3.20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149569
(CHEMBL3771238)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1ncc2CN(CCC(O)=O)CCc12 Show InChI InChI=1S/C20H22ClN5O3S/c1-12(2)29-17-4-3-13(9-15(17)21)19-23-24-20(30-19)26-16-5-7-25(8-6-18(27)28)11-14(16)10-22-26/h3-4,9-10,12H,5-8,11H2,1-2H3,(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 | 50 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149570
(CHEMBL3769451)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1cc2CN(CCCC(O)=O)CCc2n1 Show InChI InChI=1S/C21H24ClN5O3S/c1-13(2)30-18-6-5-14(10-16(18)22)20-23-24-21(31-20)27-12-15-11-26(8-3-4-19(28)29)9-7-17(15)25-27/h5-6,10,12-13H,3-4,7-9,11H2,1-2H3,(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 | 5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149571
(CHEMBL3771073)Show SMILES CC(C)Oc1ccc(cc1C#N)-c1nnc(s1)-n1cc2CN(CCCC(O)=O)CCc2n1 Show InChI InChI=1S/C22H24N6O3S/c1-14(2)31-19-6-5-15(10-16(19)11-23)21-24-25-22(32-21)28-13-17-12-27(8-3-4-20(29)30)9-7-18(17)26-28/h5-6,10,13-14H,3-4,7-9,12H2,1-2H3,(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 | 6.30 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50149556
(CHEMBL3770208)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-n1nc(C)c(CCC(O)=O)c1C Show InChI InChI=1S/C19H21ClN4O3S/c1-10(2)27-16-7-5-13(9-15(16)20)18-21-22-19(28-18)24-12(4)14(11(3)23-24)6-8-17(25)26/h5,7,9-10H,6,8H2,1-4H3,(H,25,26) | 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 | 20 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHO-K1 EDG1 cells by beta-arrestin recruitment assay |
J Med Chem 59: 1003-20 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01512
BindingDB Entry DOI: 10.7270/Q2KP842C |
More data for this
Ligand-Target Pair | |
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