| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50399008 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_876026 (CHEMBL2182317) |
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| IC50 | 3000±n/a nM |
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| Citation |  Wong, JC; Tang, G; Wu, X; Liang, C; Zhang, Z; Guo, L; Peng, Z; Zhang, W; Lin, X; Wang, Z; Mei, J; Chen, J; Pan, S; Zhang, N; Liu, Y; Zhou, M; Feng, L; Zhao, W; Li, S; Zhang, C; Zhang, M; Rong, Y; Jin, TG; Zhang, X; Ren, S; Ji, Y; Zhao, R; She, J; Ren, Y; Xu, C; Chen, D; Cai, J; Shan, S; Pan, D; Ning, Z; Lu, X; Chen, T; He, Y; Chen, L Pharmacokinetic optimization of class-selective histone deacetylase inhibitors and identification of associated candidate predictive biomarkers of hepatocellular carcinoma tumor response. J Med Chem55:8903-25 (2012) [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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| BDBM50399008 |
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| n/a |
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| Name | BDBM50399008 |
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| Synonyms: | CHEMBL2178223 |
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| Type | Small organic molecule |
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| Emp. Form. | C30H33ClN4O3 |
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| Mol. Mass. | 533.061 |
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| SMILES | CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| |
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| Structure | 
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