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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride lipase' and Ligand = 'BDBM50099612'   
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))
BDBM50099612
PNG
(CHEMBL3356979)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13H,14-18H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/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))
BDBM50099612
PNG
(CHEMBL3356979)
Show SMILES O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-9-5-4-8-22(23)25-26-29)28-16-14-27(15-17-28)18-19-10-12-21(13-11-19)31-20-6-2-1-3-7-20/h1-13H,14-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/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