| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50341008 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_740159 (CHEMBL1763219) |
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| IC50 | >30000±n/a nM |
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| Citation |  Riether, D; Wu, L; Cirillo, PF; Berry, A; Walker, ER; Ermann, M; Noya-Marino, B; Jenkins, JE; Albaugh, D; Albrecht, C; Fisher, M; Gemkow, MJ; Grbic, H; Löbbe, S; Möller, C; O'Shea, K; Sauer, A; Shih, DT; Thomson, DS 1,4-Diazepane compounds as potent and selective CB2 agonists: optimization of metabolic stability. Bioorg Med Chem Lett21:2011-6 (2011) [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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| BDBM50341008 |
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| n/a |
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| Name | BDBM50341008 |
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| Synonyms: | 4-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-acetyl]-[1,4]diazepane-1-carboxylic acid(5-tert-butyl-isoxazol-3-yl)-amide | CHEMBL1762427 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H31N5O5S |
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| Mol. Mass. | 441.545 |
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| SMILES | CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)CN2CCS(=O)(=O)CC2)no1 |
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| Structure | 
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