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Target
Cytochrome P450 2C9
Ligand
BDBM50202721
Substrate
n/a
Meas. Tech.
ChEMBL_1624779 (CHEMBL3867191)
IC50
>10000±n/a nM
Citation
 Zak, M; Yuen, PW; Liu, X; Patel, S; Sampath, D; Oeh, J; Liederer, BM; Wang, W; O'Brien, T; Xiao, Y; Skelton, N; Hua, R; Sodhi, J; Wang, Y; Zhang, L; Zhao, G; Zheng, X; Ho, YC; Bair, KW; Dragovich, PS Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. J Med Chem 59:8345-68 (2016) [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:
BDBM50202721
Synonyms:
CHEMBL3968268 | US10730889, Example 399 | US11485745, Example 399
Type:
Small organic molecule
Emp. Form.:
C24H34N4O3
Mol. Mass.:
426.5518
SMILES:
CC1(CC(=O)N2CCC3(CC3CNC(=O)N3Cc4ccncc4C3)CC2)CCOCC1
Structure:
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