Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 2C9 |
---|
Ligand | BDBM50202645 |
---|
Substrate/Competitor | 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 Chem59:8345-68 (2016) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Cytochrome P450 2C9 |
---|
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: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
|
|
|
BDBM50202645 |
---|
n/a |
---|
Name | BDBM50202645 |
Synonyms: | CHEMBL3948512 | US10730889, Example 228 | US11485745, Example 228 |
Type | Small organic molecule |
Emp. Form. | C22H30N4O3 |
Mol. Mass. | 398.4986 |
SMILES | CC1(CCC1)OC(=O)N1CCC2(CC2CNC(=O)N2Cc3ccncc3C2)CC1 |
Structure |
|