| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50432235 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_950952 (CHEMBL2350278) |
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| IC50 | 1500±n/a nM |
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| Citation |  Amblard, F; Zhang, H; Zhou, L; Shi, J; Bobeck, DR; Nettles, JH; Chavre, S; McBrayer, TR; Tharnish, P; Whitaker, T; Coats, SJ; Schinazi, RF Synthesis and evaluation of non-dimeric HCV NS5A inhibitors. Bioorg Med Chem Lett23:2031-4 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 3A4 |
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| Name: | Cytochrome P450 3A4 |
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| Synonyms: | Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50432235 |
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| n/a |
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| Name | BDBM50432235 |
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| Synonyms: | CHEMBL2347323 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H24BrN7O3 |
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| Mol. Mass. | 490.354 |
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| SMILES | COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c(Br)[nH]1)-c1ccc(cc1)N=[N+]=[N-] |r| |
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| Structure | 
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