| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50092142 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1498866 (CHEMBL3583946) |
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| IC50 | >50000±n/a nM |
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| Citation |  Hoyt, SB; Park, MK; London, C; Xiong, Y; Tata, J; Bennett, DJ; Cooke, A; Cai, J; Carswell, E; Robinson, J; MacLean, J; Brown, L; Belshaw, S; Clarkson, TR; Liu, K; Liang, GB; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Cai, TQ; Stribling, S; Pai, LY; Ma, X; Metzger, J; Verras, A; McMasters, D; Chen, Q; Tung, E; Tang, W; Salituro, G; Buist, N; Kuethe, J; Rivera, N; Clemas, J; Zhou, G; Gibson, J; Maxwell, CA; Lassman, M; McLaughlin, T; Castro-Perez, J; Szeto, D; Forrest, G; Hajdu, R; Rosenbach, M; Ali, A Discovery of Benzimidazole CYP11B2 Inhibitors with in Vivo Activity in Rhesus Monkeys. ACS Med Chem Lett6:573-8 (2015) [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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| BDBM50092142 |
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| n/a |
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| Name | BDBM50092142 |
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| Synonyms: | CHEMBL3582477 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H17F2N3O |
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| Mol. Mass. | 329.3439 |
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| SMILES | CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1 |
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| Structure | 
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