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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 = 'BDBM50143942'   
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))
BDBM50143942
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3-ethoxyc...)
Show SMILES CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:24:19:22.27.21,23:22:19:24.26.25,26:18:21:24.25.23,26:24:18.19.27:21|
Show InChI InChI=1S/C21H34N2O5/c1-2-27-18(24)6-4-8-28-19(25)5-3-7-22-20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,2-14H2,1H3,(H2,22,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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


(Homo sapiens (Human))
BDBM50143942
PNG
(4-(3-Adamantan-1-yl-ureido)-butyric acid 3-ethoxyc...)
Show SMILES CCOC(=O)CCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:23:24:19:22.27.21,23:22:19:24.26.25,26:18:21:24.25.23,26:24:18.19.27:21|
Show InChI InChI=1S/C21H34N2O5/c1-2-27-18(24)6-4-8-28-19(25)5-3-7-22-20(26)23-21-12-15-9-16(13-21)11-17(10-15)14-21/h15-17H,2-14H2,1H3,(H2,22,23,26)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/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