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Target
Cytochrome P450 2C9
Ligand
BDBM50446470
Substrate
n/a
Meas. Tech.
ChEMBL_1287807 (CHEMBL3111802)
IC50
23000±n/a nM
Citation
 Bürli, RW; Luckhurst, CA; Aziz, O; Matthews, KL; Yates, D; Lyons, KA; Beconi, M; McAllister, G; Breccia, P; Stott, AJ; Penrose, SD; Wall, M; Lamers, M; Leonard, P; Müller, I; Richardson, CM; Jarvis, R; Stones, L; Hughes, S; Wishart, G; Haughan, AF; O'Connell, C; Mead, T; McNeil, H; Vann, J; Mangette, J; Maillard, M; Beaumont, V; Munoz-Sanjuan, I; Dominguez, C Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease. J Med Chem 56:9934-54 (2013) [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:
BDBM50446470
Synonyms:
CHEMBL3109985 | US9765054, Compound 46
Type:
Small organic molecule
Emp. Form.:
C22H20N2O3
Mol. Mass.:
360.4058
SMILES:
ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cnc(o1)C1CC1)c1ccccc1 |r|
Structure:
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