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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional epoxide hydrolase 2' and Ligand = 'BDBM50274316'   
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))
BDBM50274316
PNG
(CHEMBL4129276)
Show SMILES CC(NC(=S)NCCc1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:14:17:21.20.19,THB:15:16:19:23.14.22,15:14:17.16.21:19,22:14:17:21.20.19,22:20:17:23.15.14|
Show InChI InChI=1S/C21H30N2S/c1-15(21-12-17-9-18(13-21)11-19(10-17)14-21)23-20(24)22-8-7-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3,(H2,22,23,24)
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Similars

Article
PubMed
n/an/a 345n/an/an/an/an/an/a



University of California Davis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human sEH expressed in baculovirus expression system using CMNPC as substrate preincubated for 5 mins followed by substrate...


Bioorg Med Chem Lett 28: 2302-2313 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.024
BindingDB Entry DOI: 10.7270/Q2222X8F
More data for this
Ligand-Target Pair