Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50340991 |
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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 |
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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BDBM50340991 |
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n/a |
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Name | BDBM50340991 |
Synonyms: | 4-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbonyl)-[1,4]diazepane-1-carboxylic acid(5-tert-butyl-isoxazol-3-yl)-amide | CHEMBL1762429 |
Type | Small organic molecule |
Emp. Form. | C18H29N5O5S |
Mol. Mass. | 427.518 |
SMILES | CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)N2CCS(=O)(=O)CC2)no1 |
Structure |
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