Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50253406 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1685713 |
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IC50 | 1800±n/a nM |
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Citation | Zhuang, L; Tice, CM; Xu, Z; Zhao, W; Cacatian, S; Ye, YJ; Singh, SB; Lindblom, P; McKeever, BM; Krosky, PM; Zhao, Y; Lala, D; Kruk, BA; Meng, S; Howard, L; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Guo, J; Guo, R; Himmelsbach, F; Hamilton, B; Schuler-Metz, A; Schauerte, H; Gregg, R; McGeehan, GM; Leftheris, K; Claremon, DA Discovery of BI 135585, an in vivo efficacious oxazinanone-based 11? hydroxysteroid dehydrogenase type 1 inhibitor. Bioorg Med Chem25:3649-3657 (2017) [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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BDBM50253406 |
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n/a |
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Name | BDBM50253406 |
Synonyms: | CHEMBL4101787 |
Type | Small organic molecule |
Emp. Form. | C26H28N2O3 |
Mol. Mass. | 416.5121 |
SMILES | C[C@H](N1CC[C@@](CCCO)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r| |
Structure |
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