| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM287851 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2165789 (CHEMBL5050650) |
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| IC50 | >5.0±n/a nM |
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| Citation |  Huang, C; Fischer, C; Machacek, MR; Bogen, S; Biftu, T; Huang, X; Reutershan, MH; Otte, R; Hong, Q; Wu, Z; Yu, Y; Park, M; Chen, L; Biju, P; Knemeyer, I; Lu, P; Kochansky, CJ; Hicks, MB; Liu, Y; Helmy, R; Fradera, X; Donofrio, A; Close, J; Maddess, ML; White, C; Sloman, DL; Sciammetta, N; Lu, J; Gibeau, C; Simov, V; Zhang, H; Fuller, P; Witter, D Diminishing GSH-Adduct Formation of Tricyclic Diazepine-based Mutant IDH1 Inhibitors. ACS Med Chem Lett13:734-741 (2022) [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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| BDBM287851 |
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| n/a |
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| Name | BDBM287851 |
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| Synonyms: | 8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[7]annulen-7- ylcarbonyl)-6,11-dihydro- 5H-pyrido[2,3- b][1,5]benzodiazepine | US10086000, Example 68 | US10508108, Example 68 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H30N4O2 |
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| Mol. Mass. | 454.5634 |
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| SMILES | O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |
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| Structure | 
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