Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50154359 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1560508 (CHEMBL3776780) |
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IC50 | 25988±n/a nM |
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Citation | Lotesta, SD; Marcus, AP; Zheng, Y; Leftheris, K; Noto, PB; Meng, S; Kandpal, G; Chen, G; Zhou, J; McKeever, B; Bukhtiyarov, Y; Zhao, Y; Lala, DS; Singh, SB; McGeehan, GM Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists. Bioorg Med Chem24:1384-91 (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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BDBM50154359 |
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n/a |
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Name | BDBM50154359 |
Synonyms: | CHEMBL3775464 |
Type | Small organic molecule |
Emp. Form. | C30H27FN2O4 |
Mol. Mass. | 498.5448 |
SMILES | OC(=O)CCN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21 |
Structure |
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