Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50558164 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2062192 (CHEMBL4717445) |
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IC50 | >50000±n/a nM |
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Citation | Wilson, JE; Kurukulasuriya, R; Sinz, C; Lombardo, M; Bender, K; Parker, D; Sherer, EC; Costa, M; Dingley, K; Li, X; Mitelman, S; Tong, S; Bugianesi, R; Ehrhardt, A; Priest, B; Ratliff, K; Ujjainwalla, F; Nargund, R; Hagmann, WK; Edmondson, S Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes. Bioorg Med Chem Lett26:2947-2951 (2016) [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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BDBM50558164 |
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n/a |
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Name | BDBM50558164 |
Synonyms: | CHEMBL4751613 |
Type | Small organic molecule |
Emp. Form. | C23H17F3N4O3 |
Mol. Mass. | 454.4013 |
SMILES | Cc1cc(ccn1)-c1ccc2OCCn3c(Oc4cccc(OC(F)(F)F)c4)nnc3-c2c1 |
Structure |
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