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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50295539'   
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))
BDBM50295539
PNG
(4-(benzo[d]oxazol-2-yl)-N-(2-phenylcyclopropyl)pip...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(24-19-14-17(19)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-18-8-4-5-9-20(18)27-21/h1-9,16-17,19H,10-14H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/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


(Homo sapiens (Human))
BDBM50295539
PNG
(4-(benzo[d]oxazol-2-yl)-N-(2-phenylcyclopropyl)pip...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(24-19-14-17(19)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-18-8-4-5-9-20(18)27-21/h1-9,16-17,19H,10-14H2,(H,24,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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
Bifunctional epoxide hydrolase 2


(Rattus norvegicus)
BDBM50295539
PNG
(4-(benzo[d]oxazol-2-yl)-N-(2-phenylcyclopropyl)pip...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(24-19-14-17(19)15-6-2-1-3-7-15)25-12-10-16(11-13-25)21-23-18-8-4-5-9-20(18)27-21/h1-9,16-17,19H,10-14H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/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