Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50435746
Substrate
n/a
Meas. Tech.
ChEMBL_965762 (CHEMBL2393701)
IC50
2000±n/a nM
Citation
 Thalji, RK; McAtee, JJ; Belyanskaya, S; Brandt, M; Brown, GD; Costell, MH; Ding, Y; Dodson, JW; Eisennagel, SH; Fries, RE; Gross, JW; Harpel, MR; Holt, DA; Israel, DI; Jolivette, LJ; Krosky, D; Li, H; Lu, Q; Mandichak, T; Roethke, T; Schnackenberg, CG; Schwartz, B; Shewchuk, LM; Xie, W; Behm, DJ; Douglas, SA; Shaw, AL; Marino, JP Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. Bioorg Med Chem Lett 23:3584-8 (2013) [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:
BDBM50435746
Synonyms:
CHEMBL2392705
Type:
Small organic molecule
Emp. Form.:
C22H26F3N3O
Mol. Mass.:
405.4565
SMILES:
CNc1cc(C)cc(c1)N1CCC(CC1)C(=O)NCc1ccccc1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: