Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50017659 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)) | BDBM50185143
((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/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 | 0.700 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185145
((+/-)-2-(cis-5-(4-(5-(4-((S)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,20-,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 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185147
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(9-11-20(21)15-3-1-2-4-15)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185146
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 2.70 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 2.90 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185149
((+/-)-2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 3.30 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185144
((+/-)-3-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22+/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 | 4.5 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185142
((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/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 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185150
((+/-)-2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 8 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 13 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 13 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185145
((+/-)-2-(cis-5-(4-(5-(4-((S)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,20-,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 | 16 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185151
((+/-)-trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadi...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20-/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 | 17 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 19 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185143
((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/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 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185147
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(9-11-20(21)15-3-1-2-4-15)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 30 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185144
((+/-)-3-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22+/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 | 30 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185146
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 60 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50185148
((+/-)-cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiaz...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20+/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 | 75 | 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 S1P1 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185142
((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/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 | 80 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185150
((+/-)-2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 100 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185151
((+/-)-trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadi...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20-/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 | 180 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185149
((+/-)-2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 200 | 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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185151
((+/-)-trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadi...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20-/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 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185143
((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/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 | 350 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185144
((+/-)-3-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22+/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 | 540 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 570 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 570 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185142
((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/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 | 630 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185150
((+/-)-2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 700 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185145
((+/-)-2-(cis-5-(4-(5-(4-((S)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,20-,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 | 720 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185149
((+/-)-2-(cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxad...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185148
((+/-)-cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiaz...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20+/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 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 5
(Homo sapiens (Human)) | BDBM50185148
((+/-)-cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiaz...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20+/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 | 1.28E+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 S1P5 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185146
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 1.40E+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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185143
((+/-)-2-(cis-5-(4-(5-(4-cyclohexylphenyl)-1,2,4-ox...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C1CCCCC1 Show InChI InChI=1S/C26H29N3O3/c30-24(31)16-22-14-15-23(27-22)19-8-10-20(11-9-19)25-28-26(32-29-25)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h6-13,17,22-23,27H,1-5,14-16H2,(H,30,31)/t22-,23+/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 | 1.70E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 4
(Homo sapiens (Human)) | BDBM50185147
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(9-11-20(21)15-3-1-2-4-15)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 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 S1P4 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185145
((+/-)-2-(cis-5-(4-(5-(4-((S)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,20-,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 | 2.20E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 2.50E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 2.50E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185142
((+/-)-3-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CCC(O)=O)N1 Show InChI InChI=1S/C25H29N3O3/c1-16(2)15-17-3-5-20(6-4-17)25-27-24(28-31-25)19-9-7-18(8-10-19)22-13-11-21(26-22)12-14-23(29)30/h3-10,16,21-22,26H,11-15H2,1-2H3,(H,29,30)/t21-,22-/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 | 6.70E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185147
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(9-11-20(21)15-3-1-2-4-15)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 | 7.60E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185141
((+/-)-2-(cis-5-(4-(5-(4-((R)-3,3-difluorocyclopent...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)[C@@H]1CCC(F)(F)C1 Show InChI InChI=1S/C25H25F2N3O3/c26-25(27)12-11-19(14-25)15-1-7-18(8-2-15)24-29-23(30-33-24)17-5-3-16(4-6-17)21-10-9-20(28-21)13-22(31)32/h1-8,19-21,28H,9-14H2,(H,31,32)/t19-,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 | 7.80E+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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185150
((+/-)-2-(trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-ox...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@@H](CC(O)=O)N1 Show InChI InChI=1S/C24H27N3O3/c1-15(2)13-16-3-5-19(6-4-16)24-26-23(27-30-24)18-9-7-17(8-10-18)21-12-11-20(25-21)14-22(28)29/h3-10,15,20-21,25H,11-14H2,1-2H3,(H,28,29)/t20-,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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185148
((+/-)-cis-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiaz...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20+/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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 2
(Homo sapiens (Human)) | BDBM50185151
((+/-)-trans-5-(4-(5-(4-isobutylphenyl)-1,2,4-oxadi...)Show SMILES CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(cc1)[C@@H]1CC[C@H](N1)C(O)=O Show InChI InChI=1S/C23H25N3O3/c1-14(2)13-15-3-5-18(6-4-15)22-25-21(26-29-22)17-9-7-16(8-10-17)19-11-12-20(24-19)23(27)28/h3-10,14,19-20,24H,11-13H2,1-2H3,(H,27,28)/t19-,20-/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 S1P2 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50185146
((+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-2-fluorophenyl...)Show SMILES OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1F)C1CCCC1 Show InChI InChI=1S/C25H26FN3O3/c26-21-13-18(15-3-1-2-4-15)9-11-20(21)25-28-24(29-32-25)17-7-5-16(6-8-17)22-12-10-19(27-22)14-23(30)31/h5-9,11,13,15,19,22,27H,1-4,10,12,14H2,(H,30,31)/t19-,22+/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 S1P3 expressed in CHO cells |
Bioorg Med Chem Lett 16: 2905-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.038
BindingDB Entry DOI: 10.7270/Q2GQ6XCK |
More data for this
Ligand-Target Pair | |
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