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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50268436   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50268436
PNG
((+/-)-6-(methylsulfonyl)-4-oxo-N-((trans)-2-phenyl...)
Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CC(=O)c2c1
Show InChI InChI=1S/C24H26N2O5S/c1-32(29,30)17-7-8-22-19(13-17)21(27)15-24(31-22)9-11-26(12-10-24)23(28)25-20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14-15H2,1H3,(H,25,28)/t18-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 19: 3398-404 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.036
BindingDB Entry DOI: 10.7270/Q20C4VP7
More data for this
Ligand-Target Pair