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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50327837   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epoxide hydratase


(Homo sapiens (Human))
BDBM50327837
PNG
(1-(2-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C15H20ClN3O2/c1-2-14(20)19-9-7-11(8-10-19)17-15(21)18-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10H2,1H3,(H2,17,18,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50327837
PNG
(1-(2-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)ur...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C15H20ClN3O2/c1-2-14(20)19-9-7-11(8-10-19)17-15(21)18-13-6-4-3-5-12(13)16/h3-6,11H,2,7-10H2,1H3,(H2,17,18,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10E+3n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair