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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50307793'   
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


(Homo sapiens (Human))
BDBM50307793
PNG
(4-Acetamidophenyl 2-(4-(2-(trifluoromethyl)pyridin...)
Show SMILES CC(C(=O)Oc1ccc(NC(C)=O)cc1)c1ccc(Nc2ccnc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H20F3N3O3/c1-14(22(31)32-20-9-7-17(8-10-20)28-15(2)30)16-3-5-18(6-4-16)29-19-11-12-27-21(13-19)23(24,25)26/h3-14H,1-2H3,(H,27,29)(H,28,30)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MGL


J Med Chem 53: 2286-98 (2010)


Article DOI: 10.1021/jm901891p
BindingDB Entry DOI: 10.7270/Q2833S4K
More data for this
Ligand-Target Pair