Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50325178 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_651755 (CHEMBL1228445) |
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IC50 | 14000±n/a nM |
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Citation | Chen, A; Dubé, D; Dubé, L; Gagné, S; Gallant, M; Gaudreault, M; Grimm, E; Houle, R; Lacombe, P; Laliberté, S; Liu, S; MacDonald, D; Mackay, B; Martin, D; McKay, D; Powell, D; Lévesque, JF Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study. Bioorg Med Chem Lett20:5074-9 (2010) [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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BDBM50325178 |
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n/a |
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Name | BDBM50325178 |
Synonyms: | (R)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropyl-2-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)benzyl)propanamide | CHEMBL1222884 |
Type | Small organic molecule |
Emp. Form. | C33H39Cl3N2O4 |
Mol. Mass. | 634.033 |
SMILES | COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| |
Structure |
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