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Target
Cytochrome P450 2C9
Ligand
BDBM50319986
Substrate
n/a
Meas. Tech.
ChEMBL_635055 (CHEMBL1119169)
IC50
8100±n/a nM
Citation
 Kowalski, JA; Swinamer, AD; Muegge, I; Eldrup, AB; Kukulka, A; Cywin, CL; De Lombaert, S Rapid synthesis of an array of trisubstituted urea-based soluble epoxide hydrolase inhibitors facilitated by a novel solid-phase method. Bioorg Med Chem Lett 20:3703-7 (2010) [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:
BDBM50319986
Synonyms:
CHEMBL1085743 | N-(3,3-bis(4-fluorophenyl)propyl)-3-(pyrazin-2-yl)pyrrolidine-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H24F2N4O
Mol. Mass.:
422.4704
SMILES:
Fc1ccc(cc1)C(CCNC(=O)N1CCC(C1)c1cnccn1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: