| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM155928 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1515525 (CHEMBL3615706) |
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| IC50 | >50000±n/a nM |
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| Citation |  Walsh, SP; Shahripour, A; Tang, H; Teumelsan, N; Frie, J; Zhu, Y; Priest, BT; Swensen, AM; Liu, J; Margulis, M; Visconti, R; Weinglass, A; Felix, JP; Brochu, RM; Bailey, T; Thomas-Fowlkes, B; Alonso-Galicia, M; Zhou, X; Pai, LY; Corona, A; Hampton, C; Hernandez, M; Bentley, R; Chen, J; Shah, K; Metzger, J; Forrest, M; Owens, K; Tong, V; Ha, S; Roy, S; Kaczorowski, GJ; Yang, L; Parmee, E; Garcia, ML; Sullivan, K; Pasternak, A Discovery of a Potent and Selective ROMK Inhibitor with Pharmacokinetic Properties Suitable for Preclinical Evaluation. ACS Med Chem Lett6:747-52 (2015) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM155928 |
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| n/a |
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| Name | BDBM155928 |
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| Synonyms: | US9018211, 52 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H28N4O5 |
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| Mol. Mass. | 452.5029 |
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| SMILES | COc1cc(ncc1C#N)[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r| |
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| Structure | 
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