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Target
Cytochrome P450 2C9
Ligand
BDBM117012
Substrate
n/a
Meas. Tech.
ChEMBL_2122124 (CHEMBL4831271)
IC50
3600±n/a nM
Citation
 DeSelm, L; Huck, B; Lan, R; Neagu, C; Potnick, J; Xiao, Y; Chen, X; Jones, R; Richardson, TE; Heasley, BH; Haxell, T; Moore, J; Tian, H; Georgi, K; Rohdich, F; Sutton, A; Johnson, T; Mochalkin, I; Jackson, J; Lin, J; Crowley, L; Machl, A; Clark, A; Wilker, E; Sherer, B; Goutopoulos, A Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers. J Med Chem 64:14603-14619 (2021) [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:
BDBM117012
Synonyms:
US8637532, 739
Type:
Small organic molecule
Emp. Form.:
C18H18FN5O
Mol. Mass.:
339.3668
SMILES:
CNC[C@@H](Nc1ncnc2c(cccc12)C(N)=O)c1cccc(F)c1 |r|
Structure:
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