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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 = 'BDBM50335975'   
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))
BDBM50335975
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(4-methyl-bicyclo[2....)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2 |(19.45,7.01,;19.4,5.47,;18.03,4.74,;20.7,4.65,;22.06,5.37,;23.37,4.56,;23.3,3.02,;21.96,2.29,;20.65,3.11,;24.61,2.21,;24.57,.67,;23.21,-.06,;25.88,-.14,;25.86,-1.68,;26.33,-2.77,;26.12,-4.67,;26.14,-6.19,;27.5,-5.27,;27.19,-3.88,;25.83,-3.31,;24.39,-3.99,;24.61,-5.36,)|
Show InChI InChI=1S/C17H29N3O2/c1-12(21)20-9-5-14(6-10-20)18-16(22)19-15-11-17(2)7-3-13(15)4-8-17/h13-15H,3-11H2,1-2H3,(H2,18,19,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50335975
PNG
(1-(1-Acetyl-piperidin-4-yl)-3-(4-methyl-bicyclo[2....)
Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2 |(19.45,7.01,;19.4,5.47,;18.03,4.74,;20.7,4.65,;22.06,5.37,;23.37,4.56,;23.3,3.02,;21.96,2.29,;20.65,3.11,;24.61,2.21,;24.57,.67,;23.21,-.06,;25.88,-.14,;25.86,-1.68,;26.33,-2.77,;26.12,-4.67,;26.14,-6.19,;27.5,-5.27,;27.19,-3.88,;25.83,-3.31,;24.39,-3.99,;24.61,-5.36,)|
Show InChI InChI=1S/C17H29N3O2/c1-12(21)20-9-5-14(6-10-20)18-16(22)19-15-11-17(2)7-3-13(15)4-8-17/h13-15H,3-11H2,1-2H3,(H2,18,19,22)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


Bioorg Med Chem Lett 21: 983-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.042
BindingDB Entry DOI: 10.7270/Q20865KB
More data for this
Ligand-Target Pair