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Inhibitor Report for: CHEMBL3402239-4A5-4Y2V

not really a good inhibitor IC50: 9.10e+4 (nM) using PHOME as substrate


General
Type Acetate, Cyclopropyl, Pyrazole
Chemical_Nomenclature 2-(4-bromo-3-cyclopropylpyrazol-1-yl)acetic acid
Canonical SMILES C1CC1C2=NN(C=C2Br)CC(=O)O
InChI InChI=1S/C8H9BrN2O2/c9-6-3-11(4-7(12)13)10-8(6)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
InChIKey DLIOLRMWZAEYPN-UHFFFAOYSA-N
Other name(s) 4A5 ; (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid ; 2-(4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid ; CHEMBL3402239 ; 2-(4-Bromo-3-cyclopropyl-pyrazol-1-yl)acetic acid
________________________________________________________________________________________________
MW|245.07
Formula|C8H9BrN2O2
CAS_number|1006333-38-5
PubChem|19576771
UniChem|DLIOLRMWZAEYPN-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | CHEMBL3402239-4A5-4Y2V ligand of proteins in family: Epoxide_hydrolase
Stucture | 1 structure: 4Y2V: Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Protein | human-EPHX2

References:
Search PubMed for references concerning: CHEMBL3402239-4A5-4Y2V
    Title: Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
    Amano Y, Tanabe E, Yamaguchi T
    Ref: Bioorganic & Medicinal Chemistry, :, 2015 : PubMed