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Target
Cytochrome P450 2C9
Ligand
BDBM50344068
Substrate
n/a
Meas. Tech.
ChEMBL_748602 (CHEMBL1780455)
IC50
>50000±n/a nM
Citation
 Walsh, SP; Severino, A; Zhou, C; He, J; Liang, GB; Tan, CP; Cao, J; Eiermann, GJ; Xu, L; Salituro, G; Howard, AD; Mills, SG; Yang, L 3-Substituted 3-(4-aryloxyaryl)-propanoic acids as GPR40 agonists. Bioorg Med Chem Lett 21:3390-4 (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:
BDBM50344068
Synonyms:
CHEMBL1777861 | rac-3-(4-(2-(difluoromethoxy)-4-(trifluoromethyl)phenoxy)phenyl)hex-4-ynoic acid
Type:
Small organic molecule
Emp. Form.:
C20H15F5O4
Mol. Mass.:
414.3227
SMILES:
CC#CC(CC(O)=O)c1ccc(Oc2ccc(cc2OC(F)F)C(F)(F)F)cc1
Structure:
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