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Target
Cytochrome P450 2C9
Ligand
BDBM50558167
Substrate
n/a
Meas. Tech.
ChEMBL_2062190 (CHEMBL4717443)
IC50
1390±n/a nM
Citation
 Wilson, JE; Kurukulasuriya, R; Sinz, C; Lombardo, M; Bender, K; Parker, D; Sherer, EC; Costa, M; Dingley, K; Li, X; Mitelman, S; Tong, S; Bugianesi, R; Ehrhardt, A; Priest, B; Ratliff, K; Ujjainwalla, F; Nargund, R; Hagmann, WK; Edmondson, S Discovery and development of benzo-[1,2,4]-triazolo-[1,4]-oxazepine GPR142 agonists for the treatment of diabetes. Bioorg Med Chem Lett 26:2947-2951 (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:
BDBM50558167
Synonyms:
CHEMBL4798957
Type:
Small organic molecule
Emp. Form.:
C23H18F3N5O2
Mol. Mass.:
453.4165
SMILES:
Cc1cc(ccn1)-c1ccc2OCCn3c(Nc4cccc(OC(F)(F)F)c4)nnc3-c2c1
Structure:
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