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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'pugh' and Initial = 'h'   
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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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))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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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))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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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))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 0.210n/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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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))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 0.310n/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))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 0.820n/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))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 1.30n/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
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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))
BDBM50010337
PNG
(CHEMBL3263582)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C28H26N4O3/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
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n/an/a 3.90n/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
Monoacylglycerol lipase ABHD6


(Mus musculus (mouse))
BDBM50010336
PNG
(CHEMBL3263579)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-c1ccc(cc1)-c1cn(nn1)C(=O)N1CCCCC1c1ccccc1
Show InChI InChI=1S/C32H33N5O2/c38-31(35-19-6-2-7-20-35)28-13-9-12-27(22-28)24-15-17-25(18-16-24)29-23-37(34-33-29)32(39)36-21-8-5-14-30(36)26-10-3-1-4-11-26/h1,3-4,9-13,15-18,22-23,30H,2,5-8,14,19-21H2
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n/an/a 14n/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
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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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