| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50446472 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1287804 (CHEMBL3111799) |
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| IC50 | 60±n/a nM |
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| Citation |  Bürli, RW; Luckhurst, CA; Aziz, O; Matthews, KL; Yates, D; Lyons, KA; Beconi, M; McAllister, G; Breccia, P; Stott, AJ; Penrose, SD; Wall, M; Lamers, M; Leonard, P; Müller, I; Richardson, CM; Jarvis, R; Stones, L; Hughes, S; Wishart, G; Haughan, AF; O'Connell, C; Mead, T; McNeil, H; Vann, J; Mangette, J; Maillard, M; Beaumont, V; Munoz-Sanjuan, I; Dominguez, C Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J Med Chem56:9934-54 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C19 |
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| Name: | Cytochrome P450 2C19 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50446472 |
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| n/a |
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| Name | BDBM50446472 |
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| Synonyms: | CHEMBL3110021 | US9765054, Compound 41B |
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| Type | Small organic molecule |
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| Emp. Form. | C19H16N2O3 |
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| Mol. Mass. | 320.3419 |
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| SMILES | ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnco1)c1ccccc1 |r| |
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| Structure | 
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