| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50249046 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1679702 (CHEMBL4029979) |
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| IC50 | >50000±n/a nM |
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| Citation |  Hoyt, SB; Taylor, J; London, C; Ali, A; Ujjainwalla, F; Tata, J; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Verras, A; McMasters, D; Chen, Q; Tung, E; Tang, W; Salituro, G; Clemas, J; Zhou, G; MacNeil, D; Duffy, R; Xiong, Y Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension. Bioorg Med Chem Lett27:2384-2388 (2017) [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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| BDBM50249046 |
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| n/a |
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| Name | BDBM50249046 |
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| Synonyms: | CHEMBL4071689 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H11F6N3O |
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| Mol. Mass. | 375.2685 |
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| SMILES | C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| |
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| Structure | 
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