Found 59 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 |
|---|
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM22209
(1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185529
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM22209
(1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50158335
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185526
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185525
(2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185528
(2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-y...)Show SMILES OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185530
(2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185532
(2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazo...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185531
(2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185525
(2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50158335
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185527
(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185530
(2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185526
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185529
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM22209
(1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185526
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185525
(2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185529
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185527
(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185531
(2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185532
(2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazo...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185531
(2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185530
(2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185532
(2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazo...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185528
(2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-y...)Show SMILES OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P5 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185528
(2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-y...)Show SMILES OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(H,29,30) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185525
(2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50158335
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185532
(2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazo...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185529
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185530
(2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185531
(2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50158335
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185528
(2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-y...)Show SMILES OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(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 | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185527
(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(H,28,29) | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185526
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185527
(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(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 | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185527
(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-19(14-4-2-1-3-5-14)11-18(31-21)13-30-17-8-6-15(7-9-17)20-10-16(12-27-20)22(28)29/h1-9,11,16,20,27H,10,12-13H2,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM22209
(1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185532
(2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazo...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185530
(2-(trans-5-(4-(5-(4-(3,3,3-trifluoropropyl)phenyl)...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(CCC(F)(F)F)cc1 Show InChI InChI=1S/C23H22F3N3O3/c24-23(25,26)10-9-14-1-3-18(4-2-14)22-28-21(29-32-22)17-7-5-16(6-8-17)19-11-15(13-27-19)12-20(30)31/h1-8,15,19,27H,9-13H2,(H,30,31)/t15-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185528
(2-(5-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-y...)Show SMILES OC(=O)CC1CNC(C1)c1ccc(OCc2cc(c(s2)C(F)(F)F)-c2ccccc2)cc1 Show InChI InChI=1S/C24H22F3NO3S/c25-24(26,27)23-20(16-4-2-1-3-5-16)12-19(32-23)14-31-18-8-6-17(7-9-18)21-10-15(13-28-21)11-22(29)30/h1-9,12,15,21,28H,10-11,13-14H2,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185524
(2-(trans-5-(4-(5-(4-((R)-3,3-difluorocyclopentyl)p...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)10-9-20(13-25)16-1-7-19(8-2-16)24-29-23(30-33-24)18-5-3-17(4-6-18)21-11-15(14-28-21)12-22(31)32/h1-8,15,20-21,28H,9-14H2,(H,31,32)/t15-,20-,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185525
(2-(trans-5-(4-(5-(4-(4,4-difluorocyclohexyl)phenyl...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C26H27F2N3O3/c27-26(28)11-9-18(10-12-26)17-1-7-21(8-2-17)25-30-24(31-34-25)20-5-3-19(4-6-20)22-13-16(15-29-22)14-23(32)33/h1-8,16,18,22,29H,9-15H2,(H,32,33)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50158335
(1-(4-((4-phenyl-5-(trifluoromethyl)thiophen-2-yl)m...)Show SMILES OC(=O)C1CN(Cc2ccc(OCc3cc(c(s3)C(F)(F)F)-c3ccccc3)cc2)C1 Show InChI InChI=1S/C23H20F3NO3S/c24-23(25,26)21-20(16-4-2-1-3-5-16)10-19(31-21)14-30-18-8-6-15(7-9-18)11-27-12-17(13-27)22(28)29/h1-10,17H,11-14H2,(H,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185526
(2-(trans-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-oxadia...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)15-17-14-23(27-16-17)20-8-10-21(11-9-20)25-28-26(32-29-25)22-12-6-19(7-13-22)18-4-2-1-3-5-18/h6-13,17-18,23,27H,1-5,14-16H2,(H,30,31)/t17-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185531
(2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1C[C@@H](CC(O)=O)CN1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)11-16-3-5-20(6-4-16)24-26-23(27-30-24)19-9-7-18(8-10-19)21-12-17(14-25-21)13-22(28)29/h3-10,15,17,21,25H,11-14H2,1-2H3,(H,28,29)/t17-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185529
(2-(trans-5-(4-(5-(4-cyclopentylphenyl)-1,2,4-oxadi...)Show SMILES OC(=O)C[C@@H]1CN[C@H](C1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCC1 Show InChI InChI=1S/C25H27N3O3/c29-23(30)14-16-13-22(26-15-16)19-7-9-20(10-8-19)24-27-25(31-28-24)21-11-5-18(6-12-21)17-3-1-2-4-17/h5-12,16-17,22,26H,1-4,13-15H2,(H,29,30)/t16-,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM22209
(1,2,4-oxadiazole based compound, 26 | 1-[(4-{5-[4-...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [33P]S1P from human S1P3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 16: 3564-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.090
BindingDB Entry DOI: 10.7270/Q2WS8SWT |
More data for this
Ligand-Target Pair | |
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