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Target
Cytochrome P450 2C9
Ligand
BDBM50297413
Substrate
n/a
Meas. Tech.
ChEMBL_582798 (CHEMBL1058202)
IC50
30000±n/a nM
Citation
 Eldrup, AB; Soleymanzadeh, F; Taylor, SJ; Muegge, I; Farrow, NA; Joseph, D; McKellop, K; Man, CC; Kukulka, A; De Lombaert, S Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase. J Med Chem 52:5880-95 (2009) [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:
BDBM50297413
Synonyms:
CHEMBL560537 | N-(3,3-diphenyl-propyl)-nicotinamide | N-(3,3-diphenylpropyl)nicotinamide | N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C21H20N2O
Mol. Mass.:
316.3963
SMILES:
O=C(NCCC(c1ccccc1)c1ccccc1)c1cccnc1
Structure:
Search PDB for entries with ligand similarity: