Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50310805
Substrate
n/a
Meas. Tech.
ChEMBL_621476 (CHEMBL1100147)
IC50
10000±n/a nM
Citation
 Shen, HC; Ding, FX; Deng, Q; Xu, S; Chen, HS; Tong, X; Tong, V; Zhang, X; Chen, Y; Zhou, G; Pai, LY; Alonso-Galicia, M; Zhang, B; Roy, S; Tata, JR; Berger, JP; Colletti, SL Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors. Bioorg Med Chem Lett 19:5314-20 (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:
BDBM50310805
Synonyms:
CHEMBL1079246 | N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H26ClN3O2
Mol. Mass.:
399.914
SMILES:
CNC(=O)CCC1(CCCN(C1)C(=O)Nc1ccc(Cl)cc1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: