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Inhibitor Report for: 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 | 1 structure: 3WK9: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 1
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3233606-S0F-3WK9
    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