| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50392452 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_851921 (CHEMBL2156798) |
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| IC50 | 40000±n/a nM |
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| Citation |  Certal, V; Halley, F; Virone-Oddos, A; Thompson, F; Filoche-Rommé, B; El-Ahmad, Y; Carry, JC; Delorme, C; Karlsson, A; Abecassis, PY; Vincent, L; Bonnevaux, H; Nicolas, JP; Morales, R; Michot, N; Vade, I; Louboutin, A; Perron, S; Doerflinger, G; Tric, B; Monget, S; Lengauer, C; Schio, L Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3Kß inhibitors. Bioorg Med Chem Lett22:6381-4 (2012) [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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| BDBM50392452 |
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| n/a |
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| Name | BDBM50392452 |
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| Synonyms: | CHEMBL2151922 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H20N4O4 |
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| Mol. Mass. | 344.3651 |
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| SMILES | COc1cccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c1 |
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| Structure | 
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