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Inhibitor Report for: CHEMBL3233605-S0D-3WK7

Name Class
CHEMBL3233605-S0D-3WK7TypeBenzimidazole
Pyrazole
Other_NameCHEMBL3233605
2-(1-methyl-1H-pyrazol-4-yl)-1H-1,3-benzodiazole
S0D
Chemical_Nomenclature2-(1-methylpyrazol-4-yl)-1H-benzimidazole
FormulaC11H10N4
CAS_number956515-08-5
MW198.22
PaperAmano_2014_Bioorg.Med.Chem_22_2427
Structure3WK7
Commentnot really a good inhibitor IC50: 1.27e+5 (nM) using PHOME as substrate
Gene_locushuman-EPHX2
CID16227558
FamilyEpoxide_hydrolase
InChIKeyILAJBGJRKOVOJZ-UHFFFAOYSA-N
CanonicalSMILESCN1C=C(C=N1)C2=NC3=CC=CC=C3N2
InChIInChI=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)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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