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Target
Cytochrome P450 2C9
Ligand
BDBM50060813
Substrate
n/a
Meas. Tech.
ChEMBL_1462165 (CHEMBL3396939)
IC50
200±n/a nM
Citation
 Zak, M; Liederer, BM; Sampath, D; Yuen, PW; Bair, KW; Baumeister, T; Buckmelter, AJ; Clodfelter, KH; Cheng, E; Crocker, L; Fu, B; Han, B; Li, G; Ho, YC; Lin, J; Liu, X; Ly, J; O'Brien, T; Reynolds, DJ; Skelton, N; Smith, CC; Tay, S; Wang, W; Wang, Z; Xiao, Y; Zhang, L; Zhao, G; Zheng, X; Dragovich, PS Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. Bioorg Med Chem Lett 25:529-41 (2015) [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:
BDBM50060813
Synonyms:
CHEMBL3394734 | US9458172, 5
Type:
Small organic molecule
Emp. Form.:
C20H13F2N3O4S
Mol. Mass.:
429.397
SMILES:
Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)nc1
Structure:
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