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Target
Cytochrome P450 2C9
Ligand
BDBM50353229
Substrate
n/a
Meas. Tech.
ChEMBL_769159 (CHEMBL1832818)
IC50
>25000±n/a nM
Citation
 Wang, H; Yu, N; Chen, D; Lee, KC; Lye, PL; Chang, JW; Deng, W; Ng, MC; Lu, T; Khoo, ML; Poulsen, A; Sangthongpitag, K; Wu, X; Hu, C; Goh, KC; Wang, X; Fang, L; Goh, KL; Khng, HH; Goh, SK; Yeo, P; Liu, X; Bonday, Z; Wood, JM; Dymock, BW; Kantharaj, E; Sun, ET Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile. J Med Chem 54:4694-720 (2011) [PubMed]  Article 
Target
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50353229
Synonyms:
CHEMBL1830397
Type:
Small organic molecule
Emp. Form.:
C22H34N4O2
Mol. Mass.:
386.531
SMILES:
CN(C)CC(C)(C)Cn1c(CC(C)(C)C)nc2cc(\C=C\C(=O)NO)ccc12
Structure:
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