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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50058655'   
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))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged and C-terminal Strep-tagged MAGL expressed in Escherichia coli Rosetta using [3H]2-OG as subst...


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


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PDB
MMDB

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KEGG

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CHEMBL
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PC sid
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n/an/a 950n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2320113
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Universite Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting


J Med Chem 52: 7310-4 (2009)


Article DOI: 10.1021/jm901323s
BindingDB Entry DOI: 10.7270/Q2319X48
More data for this
Ligand-Target Pair