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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50310804   
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))
BDBM50310804
PNG
(CHEMBL1079245 | N-(4-chlorophenyl)-3-(3-(2,3-dihyd...)
Show SMILES Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1
Show InChI InChI=1S/C22H26ClN7O2/c23-17-7-9-18(10-8-17)24-21(32)30-14-4-12-22(15-30,16-5-2-1-3-6-16)13-11-19(31)25-20-26-28-29-27-20/h1-3,5-10,28-29H,4,11-15H2,(H,24,32)(H2,25,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/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))
BDBM50310804
PNG
(CHEMBL1079245 | N-(4-chlorophenyl)-3-(3-(2,3-dihyd...)
Show SMILES Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1
Show InChI InChI=1S/C22H26ClN7O2/c23-17-7-9-18(10-8-17)24-21(32)30-14-4-12-22(15-30,16-5-2-1-3-6-16)13-11-19(31)25-20-26-28-29-27-20/h1-3,5-10,28-29H,4,11-15H2,(H,24,32)(H2,25,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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