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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50305635   
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))
BDBM50305635
PNG
(4-(2-cyanophenoxy)-N-(2,4-dichlorobenzyl)piperidin...)
Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2C#N)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2N3O2/c21-16-6-5-15(18(22)11-16)13-24-20(26)25-9-7-17(8-10-25)27-19-4-2-1-3-14(19)12-23/h1-6,11,17H,7-10,13H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay


Bioorg Med Chem Lett 20: 571-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.091
BindingDB Entry DOI: 10.7270/Q23R0SZ6
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50305635
PNG
(4-(2-cyanophenoxy)-N-(2,4-dichlorobenzyl)piperidin...)
Show SMILES Clc1ccc(CNC(=O)N2CCC(CC2)Oc2ccccc2C#N)c(Cl)c1
Show InChI InChI=1S/C20H19Cl2N3O2/c21-16-6-5-15(18(22)11-16)13-24-20(26)25-9-7-17(8-10-25)27-19-4-2-1-3-14(19)12-23/h1-6,11,17H,7-10,13H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.440n/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...


Bioorg Med Chem Lett 20: 571-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.091
BindingDB Entry DOI: 10.7270/Q23R0SZ6
More data for this
Ligand-Target Pair