Found 3 hits for monomerid = 50388468 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P3 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50388468
(CHEMBL2059527)Show SMILES CCc1c(CCCC(O)=O)cccc1-c1ccc(cc1)-c1ccc(OC(C)C)c(c1)C#N Show InChI InChI=1S/C28H29NO3/c1-4-25-21(8-6-10-28(30)31)7-5-9-26(25)22-13-11-20(12-14-22)23-15-16-27(32-19(2)3)24(17-23)18-29/h5,7,9,11-17,19H,4,6,8,10H2,1-3H3,(H,30,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity against S1P1 receptor by cell based FRET assay |
J Med Chem 55: 4286-96 (2012)
Article DOI: 10.1021/jm2016107
BindingDB Entry DOI: 10.7270/Q2F190SQ |
More data for this
Ligand-Target Pair | |
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