Target
Cytochrome P450 2C9
Ligand
BDBM50314821
Substrate
n/a
Meas. Tech.
ChEMBL_627242 (CHEMBL1110811)
IC50
21000±n/a nM
Citation
 Li, JKennedy, LJShi, YTao, SYe, XYChen, SYWang, YHernández, ASWang, WDevasthale, PVChen, SLai, ZZhang, HWu, SSmirk, RABolton, SARyono, DEZhang, HLim, NKChen, BCLocke, KTO'Malley, KMZhang, LSrivastava, RAMiao, BMeyers, DSMonshizadegan, HSearch, DGrimm, DZhang, RHarrity, TKunselman, LKCap, MKadiyala, PHosagrahara, VZhang, LXu, CLi, YXMuckelbauer, JKChang, CAn, YKrystek, SRBlanar, MAZahler, RMukherjee, RCheng, PTTino, JA Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453). J Med Chem 53:2854-64 (2010) [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:
BDBM50314821
Synonyms:
2-((3-((2-(4-cyanophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(ptolyloxycarbonyl)amino)acetic acid | CHEMBL1090188
Type:
Small organic molecule
Emp. Form.:
C29H25N3O6
Mol. Mass.:
511.5253
SMILES:
Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N
Structure:
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