Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50254184
Substrate
n/a
Meas. Tech.
ChEBML_1686181
IC50
8400±n/a nM
Citation
 Curtin, ML; Heyman, HR; Clark, RF; Sorensen, BK; Doherty, GA; Hansen, TM; Frey, RR; Sarris, KA; Aguirre, AL; Shrestha, A; Tu, N; Woller, K; Pliushchev, MA; Sweis, RF; Cheng, M; Wilsbacher, JL; Kovar, PJ; Guo, J; Cheng, D; Longenecker, KL; Raich, D; Korepanova, AV; Soni, NB; Algire, MA; Richardson, PL; Marin, VL; Badagnani, I; Vasudevan, A; Buchanan, FG; Maag, D; Chiang, GG; Tse, C; Michaelides, MR SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT). Bioorg Med Chem Lett 27:3317-3325 (2017) [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:
BDBM50254184
Synonyms:
CHEMBL4082366
Type:
Small organic molecule
Emp. Form.:
C25H31N3O3
Mol. Mass.:
421.5319
SMILES:
CC(C)(O)CC(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Structure:
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