| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50197658 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1619629 (CHEMBL3861798) |
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| IC50 | >50000±n/a nM |
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| Citation |  Woolford, AJ; Day, PJ; Bénéton, V; Berdini, V; Coyle, JE; Dudit, Y; Grondin, P; Huet, P; Lee, LY; Manas, ES; McMenamin, RL; Murray, CW; Page, LW; Patel, VK; Potvain, F; Rich, SJ; Sang, Y; Somers, DO; Trottet, L; Wan, Z; Zhang, X Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA J Med Chem59:10738-10749 (2016) [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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| BDBM50197658 |
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| n/a |
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| Name | BDBM50197658 |
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| Synonyms: | CHEMBL3897162 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H26FN3O2 |
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| Mol. Mass. | 359.4377 |
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| SMILES | CN1CCC(C)(CC1)C1CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1 |
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| Structure | 
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