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Inhibitor Report for: CHEMBL3233604-S0C-3WK5

not really a good inhibitor IC50: 1.50e+4 (nM) using PHOME as substrate


General
Type Sulfur Compound
Chemical_Nomenclature 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
Canonical SMILES C1CCC(C1)CC(=O)NC2=NC=CS2
InChI InChI=1S/C10H14N2OS/c13-9(7-8-3-1-2-4-8)12-10-11-5-6-14-10/h5-6,8H,1-4,7H2,(H,11,12,13)
InChIKey VVQKQIRCLCVCAT-UHFFFAOYSA-N
Other name(s) 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide ; CHEMBL3233604 ; ARONIS26818 ; SCHEMBL12824492 ; S0C
________________________________________________________________________________________________
MW|210.30
Formula|C10H14N2OS
CAS_number|
PubChem|2666601
UniChem|VVQKQIRCLCVCAT-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL3233604-S0C-3WK5 ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 3WK5: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 7
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3233604-S0C-3WK5
    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