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Inhibitor Report for: 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 | 1 structure: 3WKB: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 3
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL2094355-S0I-3WKB
    Title: Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography
    Amano Y, Yamaguchi T, Tanabe E
    Ref: Bioorganic & Medicinal Chemistry, 22:2427, 2014 : PubMed