| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2A6 |
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| Ligand | BDBM50401421 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_883344 (CHEMBL2214080) |
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| IC50 | >10000±n/a nM |
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| Citation |  Bavetsias, V; Crumpler, S; Sun, C; Avery, S; Atrash, B; Faisal, A; Moore, AS; Kosmopoulou, M; Brown, N; Sheldrake, PW; Bush, K; Henley, A; Box, G; Valenti, M; de Haven Brandon, A; Raynaud, FI; Workman, P; Eccles, SA; Bayliss, R; Linardopoulos, S; Blagg, J Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor as an orally bioavailable preclinical development candidate for the treatment of acute myeloid leukemia. J Med Chem55:8721-34 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2A6 |
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| Name: | Cytochrome P450 2A6 |
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| Synonyms: | 1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I) |
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| Type: | Protein |
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| Mol. Mass.: | 56514.34 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11509 |
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| Residue: | 494 |
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| Sequence: | MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMK
ISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSN
GERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSN
VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQL
LQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFI
GGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQ
RFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEK
GQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF
ATIPRNYTMSFLPR
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| BDBM50401421 |
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| n/a |
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| Name | BDBM50401421 |
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| Synonyms: | CHEMBL2207503 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H23Cl2N7 |
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| Mol. Mass. | 456.371 |
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| SMILES | Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4ccc(Cl)cc4)CC3)c2[nH]1 |
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| Structure | 
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