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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 = 'BDBM50143941'   
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))
BDBM50143941
PNG
(12-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-dodeca...)
Show SMILES CCOC(=O)CCCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:33:28:35:32.34.31,33:32:35:28.27.29,THB:27:26:28.29.33:31,27:28:26.34.35:31|
Show InChI InChI=1S/C29H50N2O5/c1-2-35-26(32)13-10-8-6-4-3-5-7-9-11-16-36-27(33)14-12-15-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h23-25H,2-22H2,1H3,(H2,30,31,34)
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))
BDBM50143941
PNG
(12-[4-(3-Adamantan-1-yl-ureido)-butyryloxy]-dodeca...)
Show SMILES CCOC(=O)CCCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:33:28:35:32.34.31,33:32:35:28.27.29,THB:27:26:28.29.33:31,27:28:26.34.35:31|
Show InChI InChI=1S/C29H50N2O5/c1-2-35-26(32)13-10-8-6-4-3-5-7-9-11-16-36-27(33)14-12-15-30-28(34)31-29-20-23-17-24(21-29)19-25(18-23)22-29/h23-25H,2-22H2,1H3,(H2,30,31,34)
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



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