Found 73 hits Enz. Inhib. hit(s) with all data for entry = 50031440 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)) | BDBM50313311
(6-((cyclopropylmethyl)(propyl)amino)-N-(1H-indazol...)Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313312
(1-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)Show SMILES Cc1cc(CN2CC(C2)C(O)=O)ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C27H35N5O3/c1-18-11-20(13-31-15-21(16-31)27(34)35)9-10-23(18)30-26(33)24-12-25(29-17-28-24)32(14-19-7-8-19)22-5-3-2-4-6-22/h9-12,17,19,21-22H,2-8,13-16H2,1H3,(H,30,33)(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 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in human U20S cells assessed as receptor internalization by green fluorescent protein reporter gene assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313313
(6-(cyclohexylamino)-N-(4-hydroxyphenyl)pyrimidine-...)Show InChI InChI=1S/C17H20N4O2/c22-14-8-6-13(7-9-14)21-17(23)15-10-16(19-11-18-15)20-12-4-2-1-3-5-12/h6-12,22H,1-5H2,(H,21,23)(H,18,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313314
(6-(cyclopropylamino)-N-(4-hydroxy-2-methylphenyl)p...)Show InChI InChI=1S/C15H16N4O2/c1-9-6-11(20)4-5-12(9)19-15(21)13-7-14(17-8-16-13)18-10-2-3-10/h4-8,10,20H,2-3H2,1H3,(H,19,21)(H,16,17,18) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313315
(6-(tert-butylamino)-N-(4-hydroxy-2-methylphenyl)py...)Show InChI InChI=1S/C16H20N4O2/c1-10-7-11(21)5-6-12(10)19-15(22)13-8-14(18-9-17-13)20-16(2,3)4/h5-9,21H,1-4H3,(H,19,22)(H,17,18,20) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313316
(6-(cyclopentylamino)-N-(4-hydroxyphenyl)pyrimidine...)Show InChI InChI=1S/C16H18N4O2/c21-13-7-5-12(6-8-13)20-16(22)14-9-15(18-10-17-14)19-11-3-1-2-4-11/h5-11,21H,1-4H2,(H,20,22)(H,17,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313317
(CHEMBL1081101 | N-(4-Hydroxyphenyl)-6-[(2-methylph...)Show InChI InChI=1S/C18H16N4O2/c1-22(14-5-3-2-4-6-14)17-11-16(19-12-20-17)18(24)21-13-7-9-15(23)10-8-13/h2-12,23H,1H3,(H,21,24) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313318
(CHEMBL1081268 | N-(4-hydroxyphenyl)-6-(o-tolylamin...)Show InChI InChI=1S/C18H16N4O2/c1-12-4-2-3-5-15(12)22-17-10-16(19-11-20-17)18(24)21-13-6-8-14(23)9-7-13/h2-11,23H,1H3,(H,21,24)(H,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313319
(6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)p...)Show InChI InChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 973 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313320
(6-(cyclohexyl(methyl)amino)-N-(4-hydroxyphenyl)pyr...)Show InChI InChI=1S/C18H22N4O2/c1-22(14-5-3-2-4-6-14)17-11-16(19-12-20-17)18(24)21-13-7-9-15(23)10-8-13/h7-12,14,23H,2-6H2,1H3,(H,21,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 700 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313321
(6-(cyclohexyl(methyl)amino)-N-(4-hydroxy-2-methylp...)Show InChI InChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)22-19(25)17-11-18(21-12-20-17)23(2)14-6-4-3-5-7-14/h8-12,14,24H,3-7H2,1-2H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 655 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313322
(6-(cyclohexyl(ethyl)amino)-N-(4-hydroxy-2-methylph...)Show InChI InChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 405 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313323
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-hydrox...)Show SMILES Cc1cc(O)ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C22H28N4O2/c1-15-11-18(27)9-10-19(15)25-22(28)20-12-21(24-14-23-20)26(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17,27H,2-8,13H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313324
(6-(dipropylamino)-N-(4-hydroxyphenyl)pyrimidine-4-...)Show InChI InChI=1S/C17H22N4O2/c1-3-9-21(10-4-2)16-11-15(18-12-19-16)17(23)20-13-5-7-14(22)8-6-13/h5-8,11-12,22H,3-4,9-10H2,1-2H3,(H,20,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 375 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313325
(6-(Cyclohexylamino)-N-(4-hydroxy-2-methylphenyl)py...)Show InChI InChI=1S/C18H22N4O2/c1-12-9-14(23)7-8-15(12)22-18(24)16-10-17(20-11-19-16)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313326
(6-(cyclohexylamino)-N-(2-fluoro-4-hydroxyphenyl)py...)Show InChI InChI=1S/C17H19FN4O2/c18-13-8-12(23)6-7-14(13)22-17(24)15-9-16(20-10-19-15)21-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,22,24)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313327
(CHEMBL1076723 | N-(2-chloro-4-hydroxyphenyl)-6-(cy...)Show InChI InChI=1S/C17H19ClN4O2/c18-13-8-12(23)6-7-14(13)22-17(24)15-9-16(20-10-19-15)21-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,22,24)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 390 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313328
(6-(cyclohexylamino)-N-(4-hydroxy-2-(trifluoromethy...)Show SMILES Oc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c(c1)C(F)(F)F Show InChI InChI=1S/C18H19F3N4O2/c19-18(20,21)13-8-12(26)6-7-14(13)25-17(27)15-9-16(23-10-22-15)24-11-4-2-1-3-5-11/h6-11,26H,1-5H2,(H,25,27)(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 382 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313329
(6-(cyclohexylamino)-N-(4-(hydroxymethyl)phenyl)pyr...)Show InChI InChI=1S/C18H22N4O2/c23-11-13-6-8-15(9-7-13)22-18(24)16-10-17(20-12-19-16)21-14-4-2-1-3-5-14/h6-10,12,14,23H,1-5,11H2,(H,22,24)(H,19,20,21) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313330
(6-(cyclohexylamino)-N-(4-(2-hydroxyethyl)phenyl)py...)Show InChI InChI=1S/C19H24N4O2/c24-11-10-14-6-8-16(9-7-14)23-19(25)17-12-18(21-13-20-17)22-15-4-2-1-3-5-15/h6-9,12-13,15,24H,1-5,10-11H2,(H,23,25)(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313331
(6-(cyclohexylamino)-N-(2,4-difluorophenyl)pyrimidi...)Show InChI InChI=1S/C17H18F2N4O/c18-11-6-7-14(13(19)8-11)23-17(24)15-9-16(21-10-20-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,23,24)(H,20,21,22) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313332
(6-(cyclohexylamino)-N-(4-methoxyphenyl)pyrimidine-...)Show InChI InChI=1S/C18H22N4O2/c1-24-15-9-7-14(8-10-15)22-18(23)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,22,23)(H,19,20,21) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313333
(6-(cyclohexylamino)-N-(4-(methylsulfonamido)phenyl...)Show SMILES CS(=O)(=O)Nc1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C18H23N5O3S/c1-27(25,26)23-15-9-7-14(8-10-15)22-18(24)16-11-17(20-12-19-16)21-13-5-3-2-4-6-13/h7-13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 960 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313334
(CHEMBL1087140 | N-(4-acetamidophenyl)-6-(cyclohexy...)Show InChI InChI=1S/C19H23N5O2/c1-13(25)22-15-7-9-16(10-8-15)24-19(26)17-11-18(21-12-20-17)23-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,22,25)(H,24,26)(H,20,21,23) | 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 | >2.00E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313335
(6-(cyclohexylamino)-N-(4-sulfamoylphenyl)pyrimidin...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C17H21N5O3S/c18-26(24,25)14-8-6-13(7-9-14)22-17(23)15-10-16(20-11-19-15)21-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,23)(H2,18,24,25)(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.99E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313336
(6-(cyclohexylamino)-N-(2-methyl-4-sulfamoylphenyl)...)Show SMILES Cc1cc(ccc1NC(=O)c1cc(NC2CCCCC2)ncn1)S(N)(=O)=O Show InChI InChI=1S/C18H23N5O3S/c1-12-9-14(27(19,25)26)7-8-15(12)23-18(24)16-10-17(21-11-20-16)22-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)(H2,19,25,26)(H,20,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313337
(6-(cyclohexyl(methyl)amino)-N-(2-methyl-4-sulfamoy...)Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O3S/c1-13-10-15(28(20,26)27)8-9-16(13)23-19(25)17-11-18(22-12-21-17)24(2)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,23,25)(H2,20,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313338
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...)Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(N)(=O)=O Show InChI InChI=1S/C22H29N5O3S/c1-15-11-18(31(23,29)30)9-10-19(15)26-22(28)20-12-21(25-14-24-20)27(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17H,2-8,13H2,1H3,(H,26,28)(H2,23,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313339
(6-(cyclohexyl(propyl)amino)-N-(2-methyl-4-sulfamoy...)Show SMILES CCCN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C21H29N5O3S/c1-3-11-26(16-7-5-4-6-8-16)20-13-19(23-14-24-20)21(27)25-18-10-9-17(12-15(18)2)30(22,28)29/h9-10,12-14,16H,3-8,11H2,1-2H3,(H,25,27)(H2,22,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313340
(6-(dipropylamino)-N-(2-methyl-4-sulfamoylphenyl)py...)Show SMILES CCCN(CCC)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(N)(=O)=O Show InChI InChI=1S/C18H25N5O3S/c1-4-8-23(9-5-2)17-11-16(20-12-21-17)18(24)22-15-7-6-14(10-13(15)3)27(19,25)26/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)(H2,19,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313341
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-(methy...)Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-30(28,29)19-11-9-17(10-12-19)25-22(27)20-13-21(24-15-23-20)26(14-16-7-8-16)18-5-3-2-4-6-18/h9-13,15-16,18H,2-8,14H2,1H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 193 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313342
(CHEMBL1087785 | N-(4-carbamoylphenyl)-6-(cyclohexy...)Show SMILES NC(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H27N5O2/c23-21(28)16-8-10-17(11-9-16)26-22(29)19-12-20(25-14-24-19)27(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H2,23,28)(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313343
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(2-methyl...)Show SMILES CNS(=O)(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)c(C)c1 Show InChI InChI=1S/C23H31N5O3S/c1-16-12-19(32(30,31)24-2)10-11-20(16)27-23(29)21-13-22(26-15-25-21)28(14-17-8-9-17)18-6-4-3-5-7-18/h10-13,15,17-18,24H,3-9,14H2,1-2H3,(H,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313344
(CHEMBL1087910 | N-(4-(aminomethyl)phenyl)-6-(cyclo...)Show SMILES NCc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H29N5O/c23-13-16-8-10-18(11-9-16)26-22(28)20-12-21(25-15-24-20)27(14-17-6-7-17)19-4-2-1-3-5-19/h8-12,15,17,19H,1-7,13-14,23H2,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313345
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dime...)Show SMILES CN(C)Cc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C24H33N5O/c1-28(2)15-18-10-12-20(13-11-18)27-24(30)22-14-23(26-17-25-22)29(16-19-8-9-19)21-6-4-3-5-7-21/h10-14,17,19,21H,3-9,15-16H2,1-2H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 104 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313346
(6-(cyclohexylamino)-N-(1H-indazol-5-yl)pyrimidine-...)Show InChI InChI=1S/C18H20N6O/c25-18(23-14-6-7-15-12(8-14)10-21-24-15)16-9-17(20-11-19-16)22-13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,21,24)(H,23,25)(H,19,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313347
(6-(cyclohexyl(methyl)amino)-N-(1H-indazol-5-yl)pyr...)Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H22N6O/c1-25(15-5-3-2-4-6-15)18-10-17(20-12-21-18)19(26)23-14-7-8-16-13(9-14)11-22-24-16/h7-12,15H,2-6H2,1H3,(H,22,24)(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 418 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313348
(6-(cyclohexylamino)-N-(1H-indol-5-yl)pyrimidine-4-...)Show InChI InChI=1S/C19H21N5O/c25-19(24-15-6-7-16-13(10-15)8-9-20-16)17-11-18(22-12-21-17)23-14-4-2-1-3-5-14/h6-12,14,20H,1-5H2,(H,24,25)(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313349
(CHEMBL1080863 | N-(1H-benzo[d][1,2,3]triazol-5-yl)...)Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc2nn[nH]c2c1 Show InChI InChI=1S/C18H21N7O/c1-25(13-5-3-2-4-6-13)17-10-16(19-11-20-17)18(26)21-12-7-8-14-15(9-12)23-24-22-14/h7-11,13H,2-6H2,1H3,(H,21,26)(H,22,23,24) | 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 | 7.30E+3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313350
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(1H-indaz...)Show SMILES O=C(Nc1ccc2[nH]ncc2c1)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O/c29-22(26-17-8-9-19-16(10-17)12-25-27-19)20-11-21(24-14-23-20)28(13-15-6-7-15)18-4-2-1-3-5-18/h8-12,14-15,18H,1-7,13H2,(H,25,27)(H,26,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313311
(6-((cyclopropylmethyl)(propyl)amino)-N-(1H-indazol...)Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H22N6O/c1-2-7-25(11-13-3-4-13)18-9-17(20-12-21-18)19(26)23-15-5-6-16-14(8-15)10-22-24-16/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,22,24)(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313351
(6-(dipropylamino)-N-(1H-indazol-5-yl)pyrimidine-4-...)Show InChI InChI=1S/C18H22N6O/c1-3-7-24(8-4-2)17-10-16(19-12-20-17)18(25)22-14-5-6-15-13(9-14)11-21-23-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23)(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313352
(6-(cyclohexyl(methyl)amino)-N-(6-methyl-1H-indazol...)Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C Show InChI InChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 211 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313353
(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)Show SMILES Cc1cc2[nH]ncc2cc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1 Show InChI InChI=1S/C23H28N6O/c1-15-9-20-17(12-26-28-20)10-19(15)27-23(30)21-11-22(25-14-24-21)29(13-16-7-8-16)18-5-3-2-4-6-18/h9-12,14,16,18H,2-8,13H2,1H3,(H,26,28)(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313354
(6-((cyclopropylmethyl)(propyl)amino)-N-(6-methyl-1...)Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C Show InChI InChI=1S/C20H24N6O/c1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2/h7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313355
(2-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C24H31N5O5S/c1-16-11-19(35(33,34)27-13-23(30)31)9-10-20(16)28-24(32)21-12-22(26-15-25-21)29(14-17-7-8-17)18-5-3-2-4-6-18/h9-12,15,17-18,27H,2-8,13-14H2,1H3,(H,28,32)(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313356
(2-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCC(O)=O Show InChI InChI=1S/C21H27N5O5S/c1-3-8-26(12-15-4-5-15)19-10-18(22-13-23-19)21(29)25-17-7-6-16(9-14(17)2)32(30,31)24-11-20(27)28/h6-7,9-10,13,15,24H,3-5,8,11-12H2,1-2H3,(H,25,29)(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 208 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313357
(3-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCC(O)=O Show InChI InChI=1S/C25H33N5O5S/c1-17-13-20(36(34,35)28-12-11-24(31)32)9-10-21(17)29-25(33)22-14-23(27-16-26-22)30(15-18-7-8-18)19-5-3-2-4-6-19/h9-10,13-14,16,18-19,28H,2-8,11-12,15H2,1H3,(H,29,33)(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313358
(3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)Show SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCCC(O)=O Show InChI InChI=1S/C22H29N5O5S/c1-3-10-27(13-16-4-5-16)20-12-19(23-14-24-20)22(30)26-18-7-6-17(11-15(18)2)33(31,32)25-9-8-21(28)29/h6-7,11-12,14,16,25H,3-5,8-10,13H2,1-2H3,(H,26,30)(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50313359
(4-(4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimi...)Show SMILES Cc1cc(ccc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1)S(=O)(=O)NCCCC(O)=O Show InChI InChI=1S/C26H35N5O5S/c1-18-14-21(37(35,36)29-13-5-8-25(32)33)11-12-22(18)30-26(34)23-15-24(28-17-27-23)31(16-19-9-10-19)20-6-3-2-4-7-20/h11-12,14-15,17,19-20,29H,2-10,13,16H2,1H3,(H,30,34)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Serono SA
Curated by ChEMBL
| Assay Description
Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 20: 1516-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.102
BindingDB Entry DOI: 10.7270/Q2J38SQK |
More data for this
Ligand-Target Pair | |
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