Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50183230 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_355284 (CHEMBL853205) |
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IC50 | >5000±n/a nM |
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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 Lett16:2729-33 (2006) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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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: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50183230 |
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n/a |
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Name | BDBM50183230 |
Synonyms: | 1-((6-((1R,2R)-2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)methyl)cyclohexanecarboxylic acid | CHEMBL207638 |
Type | Small organic molecule |
Emp. Form. | C26H33N3O3 |
Mol. Mass. | 435.5585 |
SMILES | C[C@H]([C@@H](c1ccc2cc(OCC3(CCCCC3)C(O)=O)ccc2c1)n1ccnc1)N(C)C |
Structure |
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