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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Monoacylglycerol lipase ABHD12'   
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 ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/s2
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n/an/a 80n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABHD12 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe


Bioorg Med Chem Lett 18: 5838-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.091
BindingDB Entry DOI: 10.7270/Q2XK8GGZ
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/s2
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n/an/a 190n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/s2
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n/an/a 190n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells pre-incubated for 10 mins before 2-AG substrate addition by HPLC method


Bioorg Med Chem 23: 6335-45 (2015)


Article DOI: 10.1016/j.bmc.2015.08.030
BindingDB Entry DOI: 10.7270/Q2NP266B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM24567
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/s2
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n/an/a 190n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 containing pCMV6-XL4-hABHD12 transfected into HEK293 cells


Bioorg Med Chem Lett 25: 1436-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.037
BindingDB Entry DOI: 10.7270/Q20Z74Z4
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408224
PNG
(CHEMBL4164954)
Show SMILES Cc1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)13-25(12-15-8-10-16(23)11-9-15)21(27)19(14)20(26)24-17-6-4-2-3-5-7-17/h8-11,13,17H,2-7,12H2,1H3,(H,24,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408226
PNG
(CHEMBL4167303)
Show SMILES Cc1c(cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1)-c1ccccc1
Show InChI InChI=1S/C27H29FN2O2/c1-19-24(21-9-5-4-6-10-21)18-30(17-20-13-15-22(28)16-14-20)27(32)25(19)26(31)29-23-11-7-2-3-8-12-23/h4-6,9-10,13-16,18,23H,2-3,7-8,11-12,17H2,1H3,(H,29,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408218
PNG
(CHEMBL4163771)
Show SMILES Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408220
PNG
(CHEMBL4175577)
Show SMILES Cc1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H25FN2O2/c1-15-12-13-24(14-16-8-10-17(22)11-9-16)21(26)19(15)20(25)23-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,23,25)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408222
PNG
(CHEMBL4174442)
Show SMILES Cc1c(Br)cnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C21H24BrFN2O2/c1-14-18(22)12-24-21(27-13-15-8-10-16(23)11-9-15)19(14)20(26)25-17-6-4-2-3-5-7-17/h8-12,17H,2-7,13H2,1H3,(H,25,26)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408215
PNG
(CHEMBL4175177)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1C
Show InChI InChI=1S/C28H31FN2O3/c1-19-25(21-11-15-24(34-2)16-12-21)18-31(17-20-9-13-22(29)14-10-20)28(33)26(19)27(32)30-23-7-5-3-4-6-8-23/h9-16,18,23H,3-8,17H2,1-2H3,(H,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50470417
PNG
(CHEMBL4284088)
Show SMILES CCCCCCCCCCC\C(=N/O)c1cc(ccc1O)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C24H32FNO3/c1-2-3-4-5-6-7-8-9-10-11-22(26-29)20-16-18(12-14-23(20)27)19-13-15-24(28)21(25)17-19/h12-17,27-29H,2-11H2,1H3/b26-22+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ABHD12 expressed in HEK293 cells using 2-OG as substrate pretreated for 30 mins followed by substrate addition and me...


Eur J Med Chem 157: 817-836 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50470421
PNG
(CHEMBL4293423)
Show SMILES CCCCCCCCCCCCC\C(=N/O)c1cc(ccc1O)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C26H36FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-24(28-31)22-18-20(14-16-25(22)29)21-15-17-26(30)23(27)19-21/h14-19,29-31H,2-13H2,1H3/b28-24+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ABHD12 expressed in HEK293 cells using 2-OG as substrate pretreated for 30 mins followed by substrate addition and me...


Eur J Med Chem 157: 817-836 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50255235
PNG
(CHEMBL4078924)
Show SMILES Cc1cccc(Cn2nc(cc2-c2ccc(O)cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c1
Show InChI InChI=1S/C30H31N3O2/c1-22-6-5-9-25(18-22)21-33-29(26-10-12-27(34)13-11-26)20-28(31-33)30(35)32-16-14-24(15-17-32)19-23-7-3-2-4-8-23/h2-13,18,20,24,34H,14-17,19,21H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition measured after 5...


J Med Chem 61: 1340-1354 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Mus musculus)
BDBM50323040
PNG
(1-(3-Thiophen-2-yl-phenyl)-ethanone, O-(phenylamin...)
Show SMILES CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C19H16N2O2S/c1-14(21-23-19(22)20-17-9-3-2-4-10-17)15-7-5-8-16(13-15)18-11-6-12-24-18/h2-13H,1H3,(H,20,22)/b21-14+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of mouse brain MAGL


Bioorg Med Chem Lett 20: 4406-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.050
BindingDB Entry DOI: 10.7270/Q24Q7V5B
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408217
PNG
(CHEMBL4173284)
Show SMILES COc1ccc(cc1)-c1c(Br)cn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H28BrFN2O3/c1-34-22-14-10-19(11-15-22)24-23(28)17-31(16-18-8-12-20(29)13-9-18)27(33)25(24)26(32)30-21-6-4-2-3-5-7-21/h8-15,17,21H,2-7,16H2,1H3,(H,30,32)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408214
PNG
(CHEMBL4163852)
Show SMILES Fc1ccc(Cn2ccc(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H27FN2O2/c27-21-14-12-19(13-15-21)18-29-17-16-23(20-8-4-3-5-9-20)24(26(29)31)25(30)28-22-10-6-1-2-7-11-22/h3-5,8-9,12-17,22H,1-2,6-7,10-11,18H2,(H,28,30)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408227
PNG
(CHEMBL4171735)
Show SMILES COc1ccc(cc1)-c1ccn(Cc2ccc(F)cc2)c(=O)c1C(=O)NC1CCCCCC1
Show InChI InChI=1S/C27H29FN2O3/c1-33-23-14-10-20(11-15-23)24-16-17-30(18-19-8-12-21(28)13-9-19)27(32)25(24)26(31)29-22-6-4-2-3-5-7-22/h8-17,22H,2-7,18H2,1H3,(H,29,31)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408219
PNG
(CHEMBL4165369)
Show SMILES Fc1ccc(Cn2cc(Br)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C26H26BrFN2O2/c27-22-17-30(16-18-12-14-20(28)15-13-18)26(32)24(23(22)19-8-4-3-5-9-19)25(31)29-21-10-6-1-2-7-11-21/h3-5,8-9,12-15,17,21H,1-2,6-7,10-11,16H2,(H,29,31)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408221
PNG
(CHEMBL4167222)
Show SMILES Fc1ccc(Cn2cc(-c3ccccc3)c(-c3ccccc3)c(C(=O)NC3CCCCCC3)c2=O)cc1
Show InChI InChI=1S/C32H31FN2O2/c33-26-19-17-23(18-20-26)21-35-22-28(24-11-5-3-6-12-24)29(25-13-7-4-8-14-25)30(32(35)37)31(36)34-27-15-9-1-2-10-16-27/h3-8,11-14,17-20,22,27H,1-2,9-10,15-16,21H2,(H,34,36)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50408223
PNG
(CHEMBL4159313)
Show SMILES COc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)c(=O)c(C(=O)NC2CCCCCC2)c1-c1ccccc1
Show InChI InChI=1S/C33H33FN2O3/c1-39-28-19-15-24(16-20-28)29-22-36(21-23-13-17-26(34)18-14-23)33(38)31(30(29)25-9-5-4-6-10-25)32(37)35-27-11-7-2-3-8-12-27/h4-6,9-10,13-20,22,27H,2-3,7-8,11-12,21H2,1H3,(H,35,37)
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University of Bern

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate preincubated for 30 mins followed by substrate addition and measured aft...


Eur J Med Chem 154: 155-171 (2018)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50240877
PNG
(CHEMBL158897 | Quinolyl derivatives | cyclohexanon...)
Show SMILES O=C(NCCCCCCNC(=O)ON=C1CCCCC1)ON=C1CCCCC1
Show InChI InChI=1S/C20H34N4O4/c25-19(27-23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)28-24-18-13-7-4-8-14-18/h1-16H2,(H,21,25)(H,22,26)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant ABHD12 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe


Bioorg Med Chem Lett 18: 5838-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.091
BindingDB Entry DOI: 10.7270/Q2XK8GGZ
More data for this
Ligand-Target Pair