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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epoxide hydratase' and Monomerid = 50192969   
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))
BDBM50192969
PNG
((S)-2-((S)-2-(6-(3-cyclohexylureido)hexanamido)-3-...)
Show SMILES OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCNC(=O)NC1CCCCC1
Show InChI InChI=1S/C28H40N6O5/c35-25(14-8-3-9-15-30-28(39)32-21-12-6-2-7-13-21)33-23(16-20-10-4-1-5-11-20)26(36)34-24(27(37)38)17-22-18-29-19-31-22/h1,4-5,10-11,18-19,21,23-24H,2-3,6-9,12-17H2,(H,29,31)(H,33,35)(H,34,36)(H,37,38)(H2,30,32,39)/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble Epoxide hydrolase


Bioorg Med Chem Lett 16: 5439-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.073
BindingDB Entry DOI: 10.7270/Q2183643
More data for this
Ligand-Target Pair