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

Target

Families : CHEMBL3233605-S0D-3WK7 ligand of proteins in family
Epoxide_hydrolase

Structure :
3WK7

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 :
PubMedSearch : Amano_2014_Bioorg.Med.Chem_22_2427
PubMedID: 24656800
Gene_locus related to this paper: human-EPHX2