| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2A6 |
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| Ligand | BDBM50159271 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_572015 (CHEMBL1023677) |
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| IC50 | 149968±n/a nM |
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| Citation |  Roy, K; Roy, PP Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques. Eur J Med Chem44:1941-51 (2009) [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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| BDBM50159271 |
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| n/a |
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| Name | BDBM50159271 |
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| Synonyms: | 4-Chlorbiphenyl | 4-chloro-1,1'-biphenyl | 4-chlorobiphenyl | 4-chlorodiphenyl | CHEMBL276334 | p-chlorobiphenyl | p-chlorodiphenyl |
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| Type | Small organic molecule |
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| Emp. Form. | C12H9Cl |
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| Mol. Mass. | 188.653 |
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| SMILES | Clc1ccc(cc1)-c1ccccc1 |
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| Structure | 
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