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Target
Cytochrome P450 2C9
Ligand
BDBM50357287
Substrate
n/a
Meas. Tech.
ChEMBL_788539 (CHEMBL1918378)
IC50
>30000±n/a nM
Citation
 Scott, JM; Baccei, C; Bain, G; Broadhead, A; Evans, JF; Fagan, P; Hutchinson, JH; King, C; Lorrain, DS; Lee, C; Prasit, P; Prodanovich, P; Santini, A; Stearns, BA Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis. Bioorg Med Chem Lett 21:6608-12 (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:
BDBM50357287
Synonyms:
CHEMBL1916686
Type:
Small organic molecule
Emp. Form.:
C27H24F3NO5
Mol. Mass.:
499.4784
SMILES:
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1ccccc1)C(F)(F)F |r|
Structure:
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