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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 = 'BDBM50327811'   
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


(Mus musculus (Mouse))
BDBM50327811
PNG
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propio...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30n/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


(Mus musculus (Mouse))
BDBM50327811
PNG
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propio...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/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


(Homo sapiens (Human))
BDBM50327811
PNG
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propio...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.10n/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


(Homo sapiens (Human))
BDBM50327811
PNG
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propio...)
Show SMILES CCC(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19ClF3N3O2/c1-2-14(24)23-7-5-10(6-8-23)21-15(25)22-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9-10H,2,5-8H2,1H3,(H2,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 4.10n/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