Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50359182 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_789986 (CHEMBL1924168) |
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IC50 | 3500±n/a nM |
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Citation | Chen, A; Aspiotis, R; Campeau, LC; Cauchon, E; Chefson, A; Ducharme, Y; Falgueyret, JP; Gagné, S; Han, Y; Houle, R; Laliberté, S; Larouche, G; Lévesque, JF; McKay, D; Percival, D Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of spirocyclic piperidines. Bioorg Med Chem Lett21:7399-404 (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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BDBM50359182 |
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n/a |
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Name | BDBM50359182 |
Synonyms: | CHEMBL1923119 |
Type | Small organic molecule |
Emp. Form. | C29H36F2N2O3 |
Mol. Mass. | 498.6045 |
SMILES | COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| |
Structure |
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