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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50531974'   
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))
BDBM50531974
PNG
(CHEMBL4575018)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(O)ccc1F
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)20-15-19(26)9-10-21(20)24/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
BindingDB Entry DOI: 10.7270/Q2GM8BSN
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50531974
PNG
(CHEMBL4575018)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1cc(O)ccc1F
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)20-15-19(26)9-10-21(20)24/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 431n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of MAGL in human U937 cell homogenates incubated for 5 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spectroscopy


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
BindingDB Entry DOI: 10.7270/Q2GM8BSN
More data for this
Ligand-Target Pair