Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50399008 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_876025 (CHEMBL2182316) |
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IC50 | 4000±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 2C9 |
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Name: | Cytochrome P450 2C9 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50399008 |
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n/a |
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Name | BDBM50399008 |
Synonyms: | CHEMBL2178223 |
Type | Small organic molecule |
Emp. Form. | C30H33ClN4O3 |
Mol. Mass. | 533.061 |
SMILES | CC(C)(O)CN1C[C@@H]([C@H](C1)c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1)C(=O)Nc1ccc(Cl)cc1 |r| |
Structure |
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