| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2B6 |
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| Ligand | BDBM50122650 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1519885 (CHEMBL3624808) |
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| IC50 | >40000±n/a nM |
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| Citation |  Balog, A; Rampulla, R; Martin, GS; Krystek, SR; Attar, R; Dell-John, J; DiMarco, JD; Fairfax, D; Gougoutas, J; Holst, CL; Nation, A; Rizzo, C; Rossiter, LM; Schweizer, L; Shan, W; Spergel, S; Spires, T; Cornelius, G; Gottardis, M; Trainor, G; Vite, GD; Salvati, ME Discovery of BMS-641988, a Novel Androgen Receptor Antagonist for the Treatment of Prostate Cancer. ACS Med Chem Lett6:908-12 (2015) [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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| BDBM50122650 |
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| n/a |
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| Name | BDBM50122650 |
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| Synonyms: | CHEMBL3623127 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H20F3N3O5S |
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| Mol. Mass. | 471.45 |
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| SMILES | [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| |
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| Structure | 
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