Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50183228
Substrate
n/a
Meas. Tech.
ChEMBL_355284 (CHEMBL853205)
IC50
>5000±n/a nM
Citation
Mulvihill, MJ; Kan, JL; Cooke, A; Bhagwat, S; Beck, P; Bittner, M; Cesario, C; Keane, D; Lazarescu, V; Nigro, A; Nillson, C; Panicker, B; Smith, V; Srebernak, M; Sun, FL; O'Connor, M; Russo, S; Fischetti, G; Vrkljan, M; Winski, S; Castelhano, AL; Emerson, D; Gibson, NW 3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid as a highly potent and selective retinoic acid metabolic blocking agent. Bioorg Med Chem Lett 16:2729-33 (2006) [PubMed] Article
More Info.:
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:
BDBM50183228
Synonyms:
1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)methyl)cyclopentanecarboxylic acid | CHEMBL377177
Type:
Small organic molecule
Emp. Form.:
C25H31N3O3
Mol. Mass.:
421.5319
SMILES:
C[C@H]([C@@H](c1ccc2cc(OCC3(CCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C