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Target
Cytochrome P450 2C9
Ligand
BDBM50046058
Substrate
n/a
Meas. Tech.
ChEMBL_1458158 (CHEMBL3368204)
IC50
>20000±n/a nM
Citation
 Clemens, JJ; Coon, T; Busch, BB; Asgian, JL; Hudson, S; Termin, A; Flores, TB; Tran, D; Chiang, P; Sperry, S; Gross, R; Abt, J; Heim, R; Lechner, S; Twin, H; Studley, J; Brenchley, G; Collier, PN; Pierard, F; Miller, A; Mak, C; Dvornikovs, V; Jimenez, JM; Stamos, D Strategies for the modulation of phase II metabolism in a series of PKCe inhibitors. Bioorg Med Chem Lett 24:3398-402 (2014) [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:
BDBM50046058
Synonyms:
CHEMBL3310294
Type:
Small organic molecule
Emp. Form.:
C20H17F3N4O2
Mol. Mass.:
402.3698
SMILES:
OC[C@@H](O)Cc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F |r|
Structure:
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