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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50359050'   
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))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat N-terminal histidine tagged MAGL expressed in Escherichia coli Rosetta 2 (DE3) pLysS cells preincubated for 10 mins fol...


J Med Chem 60: 4-46 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00538
BindingDB Entry DOI: 10.7270/Q2348NZC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant N-terminal his-tagged MAGL expressed in Escherichia coli DH5alpha assessed as 2-oleoylglycerol hydrolysis after 10 mins...


Bioorg Med Chem Lett 21: 7321-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.026
BindingDB Entry DOI: 10.7270/Q2B27VPC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Rattus norvegicus (Rat))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
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PC sid
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Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...


J Med Chem 63: 1261-1280 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01679
BindingDB Entry DOI: 10.7270/Q2377D2G
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
PDB
MMDB

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B.MOAD
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PC sid
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Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL assessed as inhibition of 2-oleoylglycerol hydrolysis preincubated for 10 mins by LC/MS analysis


Bioorg Med Chem Lett 21: 7321-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.026
BindingDB Entry DOI: 10.7270/Q2B27VPC
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50359050
PNG
(CHEMBL1922513)
Show SMILES CCCCCCCCn1sc2ccccc2c1=O
Show InChI InChI=1S/C15H21NOS/c1-2-3-4-5-6-9-12-16-15(17)13-10-7-8-11-14(13)18-16/h7-8,10-11H,2-6,9,12H2,1H3
PDB
MMDB

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KEGG

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Universit£ catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL assessed as [3H]oleoylglycerol hydrolysis after 10 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 7321-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.026
BindingDB Entry DOI: 10.7270/Q2B27VPC
More data for this
Ligand-Target Pair