CHEMBL3233605-S0D-3WK7
not really a good inhibitor IC50: 1.27e+5 (nM) using PHOME as substrate
General
Type : Benzimidazole,Pyrazole
Chemical_Nomenclature : 2-(1-methylpyrazol-4-yl)-1H-benzimidazole
Canonical SMILES : CN1C=C(C=N1)C2=NC3=CC=CC=C3N2
InChI : InChI=1S\/C11H10N4\/c1-15-7-8(6-12-15)11-13-9-4-2-3-5-10(9)14-11\/h2-7H,1H3,(H,13,14)
InChIKey : ILAJBGJRKOVOJZ-UHFFFAOYSA-N
Other name(s) : CHEMBL3233605,2-(1-methyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazole,S0D
MW : 198.22
Formula : C11H10N4
CAS_number : 956515-08-5
PubChem : 16227558
UniChem : ILAJBGJRKOVOJZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : CHEMBL3233605-S0D-3WK7 ligand of proteins in family: Epoxide_hydrolase
Stucture : 3WK7 Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 9
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 |