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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Monoacylglycerol lipase ABHD6' and Ligand = 'BDBM50010335'   
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))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-based LC-MS/MS analysis


Cell Chem Biol 56: 8270-9 (2013)


Article DOI: 10.1021/jm400899c
BindingDB Entry DOI: 10.7270/Q2WM1FXR
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based competitive ABPP assay


Cell Chem Biol 56: 8270-9 (2013)


Article DOI: 10.1021/jm400899c
BindingDB Entry DOI: 10.7270/Q2WM1FXR
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
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CHEMBL
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated for 30 mins followed by FP-rhodamine labelling measured after 30 mins ...


Cell Chem Biol 56: 8270-9 (2013)


Article DOI: 10.1021/jm400899c
BindingDB Entry DOI: 10.7270/Q2WM1FXR
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50010335
PNG
(CHEMBL3263577)
Show SMILES OCc1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C27H26N4O2/c32-19-20-7-6-10-24(17-20)21-12-14-22(15-13-21)25-18-31(29-28-25)27(33)30-16-5-4-11-26(30)23-8-2-1-3-9-23/h1-3,6-10,12-15,17-18,26,32H,4-5,11,16,19H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylglycerol preincubated for 30 mins followed by substrate addition measu...


Cell Chem Biol 56: 8270-9 (2013)


Article DOI: 10.1021/jm400899c
BindingDB Entry DOI: 10.7270/Q2WM1FXR
More data for this
Ligand-Target Pair