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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoglyceride Lipase (MGL)' and Ligand = 'BDBM50350559'   
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
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50350559
PNG
(CHEMBL1812718)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C25H24N2O5/c28-25(32-23-11-9-21(10-12-23)27(29)30)26-15-13-19(14-16-26)17-20-5-4-8-24(18-20)31-22-6-2-1-3-7-22/h1-12,18-19H,13-17H2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


Bioorg Med Chem Lett 21: 4674-85 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.096
BindingDB Entry DOI: 10.7270/Q2W959JK
More data for this
Ligand-Target Pair