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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50099614'   
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))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair