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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50432829'   
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))
BDBM50432829
PNG
(CHEMBL2171700)
Show SMILES COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
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PC sid
UniChem
Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) assessed as reduction in arachidonic acid production from 2-arachidonoylg...


J Med Chem 61: 9205-9217 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00824
BindingDB Entry DOI: 10.7270/Q2FR008T
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432829
PNG
(CHEMBL2171700)
Show SMILES COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 78n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of MAGL (unknown origin)


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432829
PNG
(CHEMBL2171700)
Show SMILES COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MAGL (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2016.05.038
BindingDB Entry DOI: 10.7270/Q28056BZ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432829
PNG
(CHEMBL2171700)
Show SMILES COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 310n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for...


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50432829
PNG
(CHEMBL2171700)
Show SMILES COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
Show InChI InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
PDB
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n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MAGL expressed in Escherichia coli BL21(DE3) assessed as reduction in arachidonic acid production from 2-arachidonoylg...


J Med Chem 61: 9205-9217 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00824
BindingDB Entry DOI: 10.7270/Q2FR008T
More data for this
Ligand-Target Pair