CHEMBL3233606-S0F-3WK9
not really a good inhibitor IC50: 7.00e+4 (nM) using PHOME as substrate
General
Type : Thiazolidine,Sulfur Compound
Chemical_Nomenclature : 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
Canonical SMILES : C1=CC(=CC=C1CC2=CN=C(S2)N)Br
InChI : InChI=1S\/C10H9BrN2S\/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9\/h1-4,6H,5H2,(H2,12,13)
InChIKey : HGWLTZOMQZIUBW-UHFFFAOYSA-N
Other name(s) : 5-(4-bromobenzyl)-1,3-thiazol-2-amine,NS19504,5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine,NS 19504,CHEMBL3233606,SCHEMBL14341905,ZINC137444,S0F
MW : 269.16
Formula : C10H9BrN2S
CAS_number : 327062-46-4
PubChem : 727750
UniChem : HGWLTZOMQZIUBW-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3233606-S0F-3WK9 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WK9 Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 1
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 |