Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50446304
Substrate
n/a
Meas. Tech.
ChEMBL_1286761 (CHEMBL3111866)
IC50
>10000±n/a nM
Citation
 Hicken, EJ; Marmsater, FP; Munson, MC; Schlachter, ST; Robinson, JE; Allen, S; Burgess, LE; DeLisle, RK; Rizzi, JP; Topalov, GT; Zhao, Q; Hicks, JM; Kallan, NC; Tarlton, E; Allen, A; Callejo, M; Cox, A; Rana, S; Klopfenstein, N; Woessner, R; Lyssikatos, JP Discovery of a Novel Class of Imidazo[1,2-a]Pyridines with Potent PDGFR Activity and Oral Bioavailability. ACS Med Chem Lett 5:78-83 (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:
BDBM50446304
Synonyms:
CHEMBL3109337
Type:
Small organic molecule
Emp. Form.:
C24H25FN4O3
Mol. Mass.:
436.4787
SMILES:
COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@H]3F)c2n1 |r|
Structure:
Search PDB for entries with ligand similarity: