BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50310800   
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))
BDBM50310800
PNG
(3-methyl-3-phenyl-N-(3-(pyridin-3-yl)propyl)piperi...)
Show SMILES CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50310800
PNG
(3-methyl-3-phenyl-N-(3-(pyridin-3-yl)propyl)piperi...)
Show SMILES CC1(CCCN(C1)C(=O)NCCCc1cccnc1)c1ccccc1
Show InChI InChI=1S/C21H27N3O/c1-21(19-10-3-2-4-11-19)12-7-15-24(17-21)20(25)23-14-6-9-18-8-5-13-22-16-18/h2-5,8,10-11,13,16H,6-7,9,12,14-15,17H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET production


Bioorg Med Chem Lett 19: 5314-20 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.138
BindingDB Entry DOI: 10.7270/Q2S75GFP
More data for this
Ligand-Target Pair