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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50327813'   
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))
BDBM50327813
PNG
(1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-6-4-14(5-7-17)25-19(29)26-15-8-11-27(12-9-15)18(28)13-16-3-1-2-10-24-16/h1-7,10,15H,8-9,11-13H2,(H2,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

US Patent
n/an/a 3.10n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50327813
PNG
(1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-6-4-14(5-7-17)25-19(29)26-15-8-11-27(12-9-15)18(28)13-16-3-1-2-10-24-16/h1-7,10,15H,8-9,11-13H2,(H2,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50327813
PNG
(1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-6-4-14(5-7-17)25-19(29)26-15-8-11-27(12-9-15)18(28)13-16-3-1-2-10-24-16/h1-7,10,15H,8-9,11-13H2,(H2,25,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant soluble epoxide hydrolase by fluorescence assay


J Med Chem 53: 7067-75 (2010)


Article DOI: 10.1021/jm100691c
BindingDB Entry DOI: 10.7270/Q2GH9J6V
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50327813
PNG
(1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(tri...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)Cc2ccccn2)cc1
Show InChI InChI=1S/C20H21F3N4O3/c21-20(22,23)30-17-6-4-14(5-7-17)25-19(29)26-15-8-11-27(12-9-15)18(28)13-16-3-1-2-10-24-16/h1-7,10,15H,8-9,11-13H2,(H2,25,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

US Patent
n/an/a 5n/an/an/an/a7.0n/a



The Regents of the University of California

US Patent


Assay Description
IC50 values were determined using a sensitive fluorescent based assay (Anal. Biochem. 2005, 343, 66-75). Cyano(2-methoxynaphthalen-6-yl)methyl trans-...


US Patent US9296693 (2016)


BindingDB Entry DOI: 10.7270/Q2TX3D7M
More data for this
Ligand-Target Pair