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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 = 'BDBM50143926'   
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))
BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against mouse soluble epoxide hydrolase (sEH)


J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against mouse soluble epoxide hydrolase (sEH) at 0.12 uM


J Med Chem 48: 3621-9 (2005)


Article DOI: 10.1021/jm0500929
BindingDB Entry DOI: 10.7270/Q2D799X0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against human soluble epoxide hydrolase (sEH) at 0.24 uM


J Med Chem 48: 3621-9 (2005)


Article DOI: 10.1021/jm0500929
BindingDB Entry DOI: 10.7270/Q2D799X0
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50143926
PNG
(4-[3-(3-Chloro-phenyl)-ureido]-butyric acid pentyl...)
Show SMILES CCCCCOC(=O)CCCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H23ClN2O3/c1-2-3-4-11-22-15(20)9-6-10-18-16(21)19-14-8-5-7-13(17)12-14/h5,7-8,12H,2-4,6,9-11H2,1H3,(H2,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of California-Davis

Curated by ChEMBL


Assay Description
Tested for 50 % inhibitory concentration against human soluble epoxide hydrolase (sEH)


J Med Chem 47: 2110-22 (2004)


Article DOI: 10.1021/jm030514j
BindingDB Entry DOI: 10.7270/Q29Z94BM
More data for this
Ligand-Target Pair