| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2B6 |
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| Ligand | BDBM370467 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1866292 (CHEMBL4367267) |
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| IC50 | >100000±n/a nM |
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| Citation |  Kumar, S; Waldo, JP; Jaipuri, FA; Marcinowicz, A; Van Allen, C; Adams, J; Kesharwani, T; Zhang, X; Metz, R; Oh, AJ; Harris, SF; Mautino, MR Discovery of Clinical Candidate (1 J Med Chem62:6705-6733 (2019) [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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| BDBM370467 |
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| n/a |
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| Name | BDBM370467 |
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| Synonyms: | 4-(2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)- 1-hydroxyethyl)cyclohexanone; | US10233190, Example 1379 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H19FN2O2 |
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| Mol. Mass. | 314.3541 |
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| SMILES | OC(CC1c2c(cccc2F)-c2cncn12)C1CCC(=O)CC1 |
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| Structure | 
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