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 : 3WK5 Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 7
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 |