| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2B6 |
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| Ligand | BDBM50366402 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1735366 (CHEMBL4150902) |
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| IC50 | 4600±n/a nM |
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| Citation |  Denton, TT; Srivastava, P; Xia, Z; Chen, G; Watson, CJW; Wynd, A; Lazarus, P Identification of the 4-Position of 3-Alkynyl and 3-Heteroaromatic Substituted Pyridine Methanamines as a Key Modification Site Eliciting Increased Potency and Enhanced Selectivity for Cytochrome P-450 2A6 Inhibition. J Med Chem61:7065-7086 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2B6 |
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| Name: | Cytochrome P450 2B6 |
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| Synonyms: | CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6) |
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| Type: | Protein |
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| Mol. Mass.: | 56289.75 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P20813 |
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| Residue: | 491 |
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| Sequence: | MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
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| BDBM50366402 |
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| n/a |
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| Name | BDBM50366402 |
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| Synonyms: | CHEMBL4172462 |
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| Type | Small organic molecule |
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| Emp. Form. | C11H14Cl2N2OS |
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| Mol. Mass. | 293.213 |
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| SMILES | Cl.Cl.COc1ccncc1-c1ccc(CN)s1 |
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| Structure | 
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