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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 = 'BDBM50196662'   
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))
BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 7.5n/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))
BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/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))
BDBM50196662
PNG
(12-(3-adamantan-1-yl-ureido)decanoic acid[1-(2,3,4...)
Show SMILES CCCCCCCC(NC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O |TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26|
Show InChI InChI=1S/C38H68N4O8/c1-2-3-4-10-13-16-29(35(48)41-36-34(47)33(46)32(45)30(25-43)50-36)40-31(44)17-14-11-8-6-5-7-9-12-15-18-39-37(49)42-38-22-26-19-27(23-38)21-28(20-26)24-38/h26-30,32-34,36,43,45-47H,2-25H2,1H3,(H,40,44)(H,41,48)(H2,39,42,49)/t26?,27?,28?,29?,30-,32-,33+,34-,36-,38?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 100n/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