Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50092137 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1498866 (CHEMBL3583946) |
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IC50 | 8235±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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 57349.57 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 503 |
Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50092137 |
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n/a |
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Name | BDBM50092137 |
Synonyms: | CHEMBL3582481 |
Type | Small organic molecule |
Emp. Form. | C16H12F3N3 |
Mol. Mass. | 303.2818 |
SMILES | Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1 |
Structure |
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