Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50323355 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_643970 (CHEMBL1211869) |
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IC50 | 530±n/a nM |
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Citation | Adams, CM; Hu, CW; Jeng, AY; Karki, R; Ksander, G; Lasala, D; Leung-Chu, J; Liang, G; Liu, Q; Meredith, E; Rao, C; Rigel, DF; Shi, J; Smith, S; Springer, C; Zhang, C The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-beta-hydroxylase. Bioorg Med Chem Lett20:4324-7 (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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BDBM50323355 |
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n/a |
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Name | BDBM50323355 |
Synonyms: | 6-[(S)-1-(4-Chloro-phenyl)-ethyl]-4-(2-methoxy-2-methyl-propyl)-6,7-dihydro-5-thia-2,3a,6-triaza-indene 5,5-dioxide | CHEMBL1209693 |
Type | Small organic molecule |
Emp. Form. | C18H24ClN3O3S |
Mol. Mass. | 397.919 |
SMILES | COC(C)(C)CC1n2cncc2CN([C@@H](C)c2ccc(Cl)cc2)S1(=O)=O |r| |
Structure |
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