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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50220344'   
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


(Rattus norvegicus (Rat))
BDBM50220344
PNG
(2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl (5Z,8Z,11Z,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCC1OCC(C)(C)CO1
Show InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)30-23-22-27-31-24-28(2,3)25-32-27/h8-9,11-12,14-15,17-18,27H,4-7,10,13,16,19-25H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Inhibition of MGL in rat cerebellum cytosolic fractions assessed as [3H]-2-oleoglycerol hydrolysis


J Med Chem 50: 5012-23 (2007)


Article DOI: 10.1021/jm070642y
BindingDB Entry DOI: 10.7270/Q2N879HC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50220344
PNG
(2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl (5Z,8Z,11Z,1...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCC1OCC(C)(C)CO1
Show InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(29)30-23-22-27-31-24-28(2,3)25-32-27/h8-9,11-12,14-15,17-18,27H,4-7,10,13,16,19-25H2,1-3H3/b9-8-,12-11-,15-14-,18-17-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.90E+4n/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Inhibition of MGL in rat cerebellum membrane fractions assessed as [3H]-2-oleoglycerol hydrolysis


J Med Chem 50: 5012-23 (2007)


Article DOI: 10.1021/jm070642y
BindingDB Entry DOI: 10.7270/Q2N879HC
More data for this
Ligand-Target Pair