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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50295538'   
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
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50295538
PNG
(4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...)
Show SMILES Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/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
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295538
PNG
(4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclo...)
Show SMILES Cc1noc(n1)C1CCN(CC1)C(=O)NC1CC1c1ccccc1
Show InChI InChI=1S/C18H22N4O2/c1-12-19-17(24-21-12)14-7-9-22(10-8-14)18(23)20-16-11-15(16)13-5-3-2-4-6-13/h2-6,14-16H,7-11H2,1H3,(H,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat 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