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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoacylglycerol lipase ABHD6' and Ligand = 'BDBM50012157'   
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
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain ABHD6 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair