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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 = 'BDBM50196648'   
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))
BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by fluorescent based assay


Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Mus musculus (Mouse))
BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of mouse soluble epoxide hydrolase by spectrometric based assay


Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM50196648
PNG
(12-(3-adamantan-1-yl-ureido)-dodecanoic acid [((2S...)
Show SMILES OC[C@@H]1O[C@H](NC(=O)CNC(=O)CCCCCCCCCCCNC(=O)NC23CC4CC(CC(C4)C2)C3)[C@@H](O)[C@H](O)[C@H]1O |TLB:26:27:30:34.33.32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27|
Show InChI InChI=1S/C31H54N4O8/c36-19-23-26(39)27(40)28(41)29(43-23)34-25(38)18-33-24(37)10-8-6-4-2-1-3-5-7-9-11-32-30(42)35-31-15-20-12-21(16-31)14-22(13-20)17-31/h20-23,26-29,36,39-41H,1-19H2,(H,33,37)(H,34,38)(H2,32,35,42)/t20?,21?,22?,23-,26-,27+,28-,29-,31?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Department of Entomology and University of California Davis Cancer Center

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase by spectrometric based assay


Bioorg Med Chem 15: 312-23 (2006)


Article DOI: 10.1016/j.bmc.2006.09.057
BindingDB Entry DOI: 10.7270/Q26D5SNJ
More data for this
Ligand-Target Pair