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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 = 'BDBM50295545'   
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))
BDBM50295545
PNG
(CHEMBL557032 | N-(2-phenylcyclopropyl)-4-(3-(pyraz...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
Show InChI InChI=1S/C21H22N6O2/c28-21(24-17-12-16(17)14-4-2-1-3-5-14)27-10-6-15(7-11-27)20-25-19(26-29-20)18-13-22-8-9-23-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 11n/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


(Homo sapiens (Human))
BDBM50295545
PNG
(CHEMBL557032 | N-(2-phenylcyclopropyl)-4-(3-(pyraz...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
Show InChI InChI=1S/C21H22N6O2/c28-21(24-17-12-16(17)14-4-2-1-3-5-14)27-10-6-15(7-11-27)20-25-19(26-29-20)18-13-22-8-9-23-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,24,28)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 13n/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)
BDBM50295545
PNG
(CHEMBL557032 | N-(2-phenylcyclopropyl)-4-(3-(pyraz...)
Show SMILES O=C(NC1CC1c1ccccc1)N1CCC(CC1)c1nc(no1)-c1cnccn1
Show InChI InChI=1S/C21H22N6O2/c28-21(24-17-12-16(17)14-4-2-1-3-5-14)27-10-6-15(7-11-27)20-25-19(26-29-20)18-13-22-8-9-23-18/h1-5,8-9,13,15-17H,6-7,10-12H2,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/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