CHEMBL2094355-S0I-3WKB
not really a good inhibitor IC50: 6.10e+4 (nM) using PHOME as substrate
General
Type : Quinoxaline
Chemical_Nomenclature : 4-benzyl-1,3-dihydroquinoxalin-2-one
Canonical SMILES : C1C(=O)NC2=CC=CC=C2N1CC3=CC=CC=C3
InChI : InChI=1S\/C15H14N2O\/c18-15-11-17(10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)16-15\/h1-9H,10-11H2,(H,16,18)
InChIKey : BSCQZYGHGGBKLI-UHFFFAOYSA-N
Other name(s) : 4-benzyl-1,3-dihydroquinoxalin-2-one,4-Benzyl-3,4-Dihydroquinoxalin-2(1h)-One,CHEMBL2094355,DNDI1416972,ZINC226275,S0I
MW : 238.28
Formula : C15H14N2O
CAS_number : 106595-91-9
PubChem : 759495
UniChem : BSCQZYGHGGBKLI-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL2094355-S0I-3WKB ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WKB Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 3
Protein : human-EPHX2
References (1)
| Title : Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography - Amano_2014_Bioorg.Med.Chem_22_2427 |
| Author(s) : Amano Y , Yamaguchi T , Tanabe E |
| Ref : Bioorganic & Medicinal Chemistry , 22 :2427 , 2014 |
| Abstract : Amano_2014_Bioorg.Med.Chem_22_2427 |
| ESTHER : Amano_2014_Bioorg.Med.Chem_22_2427 |
| PubMedSearch : Amano_2014_Bioorg.Med.Chem_22_2427 |
| PubMedID: 24656800 |
| Gene_locus related to this paper: human-EPHX2 |