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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50295547   
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))
BDBM50295547
PNG
(4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-26(28-22-16-21(22)17-6-2-1-3-7-17)31-14-11-19(12-15-31)25-29-24(30-33-25)23-20-9-5-4-8-18(20)10-13-27-23/h1-10,13,19,21-22H,11-12,14-16H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50295547
PNG
(4-(3-(isoquinolin-1-yl)-1,2,4-oxadiazol-5-yl)-N-(2...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1nccc2ccccc12
Show InChI InChI=1S/C26H25N5O2/c32-26(28-22-16-21(22)17-6-2-1-3-7-17)31-14-11-19(12-15-31)25-29-24(30-33-25)23-20-9-5-4-8-18(20)10-13-27-23/h1-10,13,19,21-22H,11-12,14-16H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sEH in HEK293 cells assessed as conversion of 14,15-epoxyeicosatrienoic acid to 14,15-dihydroepoxyeicosatrienoic acid


J Med Chem 52: 5009-12 (2010)


Article DOI: 10.1021/jm900725r
BindingDB Entry DOI: 10.7270/Q2TX3G8W
More data for this
Ligand-Target Pair