Found 6 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 3
(Homo sapiens (Human)) | BDBM50045332
(CHEMBL3311354)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045325
(CHEMBL3311106)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50045332
(CHEMBL3311354)Show SMILES Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)COP(O)(O)=O)cc2C)cc1 |r| Show InChI InChI=1S/C24H34NO6P/c1-17-8-10-20(11-9-17)6-5-7-23(26)22-13-18(2)21(12-19(22)3)14-30-15-24(4,25)16-31-32(27,28)29/h8-13H,5-7,14-16,25H2,1-4H3,(H2,27,28,29)/t24-/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 | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM23165
(CHEMBL366208 | FTY720-phosphate, (S)-2 | [(2S)-2-a...)Show SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50045325
(CHEMBL3311106)Show SMILES Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(O)(O)=O)cc2)cc1 |r| Show InChI InChI=1S/C22H30NO6P/c1-17-6-8-18(9-7-17)4-3-5-21(24)20-12-10-19(11-13-20)14-28-15-22(2,23)16-29-30(25,26)27/h6-13H,3-5,14-16,23H2,1-2H3,(H2,25,26,27)/t22-/m1/s1 | 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 | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3 receptor expressed in CHOK1 cell membranes by [35S]-GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 1371-1378 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.011
BindingDB Entry DOI: 10.7270/Q27P91N1 |
More data for this
Ligand-Target Pair | |
Search and Browse
