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 : 4Y2V Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Protein : human-EPHX2
References (1)
| Title : Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening - Amano_2015_Bioorg.Med.Chem_23_2310 |
| Author(s) : Amano Y , Tanabe E , Yamaguchi T |
| Ref : Bioorganic & Medicinal Chemistry , : , 2015 |
| Abstract : Amano_2015_Bioorg.Med.Chem_23_2310 |
| ESTHER : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedSearch : Amano_2015_Bioorg.Med.Chem_23_2310 |
| PubMedID: 25862210 |
| Gene_locus related to this paper: human-EPHX2 |