Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50224108
Substrate
n/a
Meas. Tech.
ChEMBL_450437 (CHEMBL899614)
IC50
>40000±n/a nM
Citation
 Ahlström, MM; Ridderström, M; Zamora, I CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites. J Med Chem 50:5382-91 (2007) [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:
BDBM50224108
Synonyms:
2-(4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetic acid | 2-[4-(5-(4-methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl)-phenyl]-acetic acid | CHEMBL244131
Type:
Small organic molecule
Emp. Form.:
C19H15F3N2O2
Mol. Mass.:
360.3298
SMILES:
Cc1ccc(cc1)-c1cc(nn1-c1ccc(CC(O)=O)cc1)C(F)(F)F
Structure:
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