Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50340099
Substrate
n/a
Meas. Tech.
ChEMBL_741100 (CHEMBL1764371)
IC50
2800±n/a nM
Citation
 Ratcliffe, P; Adam, JM; Baker, J; Bursi, R; Campbell, R; Clark, JK; Cottney, JE; Deehan, M; Easson, AM; Ecker, D; Edwards, D; Epemolu, O; Evans, L; Fields, R; Francis, S; Harradine, P; Jeremiah, F; Kiyoi, T; McArthur, D; Morrison, A; Passier, P; Pick, J; Schnabel, PG; Schulz, J; Steinbrede, H; Walker, G; Westwood, P; Wishart, G; de Haes, JU Design, synthesis and structure-activity relationships of (indo-3-yl) heterocyclic derivatives as agonists of the CB1 receptor. Discovery of a clinical candidate. Bioorg Med Chem Lett 21:2541-6 (2011) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50340099
Synonyms:
2-(((2-(7-chloro-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)thiazol-4-yl)methyl)(isopropyl)amino)ethanol | CHEMBL1762808
Type:
Small organic molecule
Emp. Form.:
C23H30ClN3O2S
Mol. Mass.:
448.021
SMILES:
CC(C)N(CCO)Cc1csc(n1)-c1cn(CC2CCOCC2)c2c(Cl)cccc12
Structure:
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