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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 405.8
BDBM50065640
Purchase
Wt: 368.4
BDBM50065645
Wt: 354.4
BDBM50118167
Purchase
Wt: 274.1
BDBM50118172
Wt: 264.2
BDBM50118164
Wt: 283.2
BDBM50118168
Wt: 313.2
BDBM50118169
Wt: 221.2
BDBM50118173
Wt: 452.5
BDBM50211235
Wt: 422.5
BDBM50211236
Wt: 422.5
BDBM50211259
Wt: 368.4
BDBM50211263
Wt: 422.5
BDBM50211266
Wt: 390.4
BDBM50211270
Wt: 328.4
BDBM50211278
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 62 hits in this display   
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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 6.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured af...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211235
PNG
(CHEMBL3974512)
Show SMILES OC(c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2
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n/an/a 25n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211235
PNG
(CHEMBL3974512)
Show SMILES OC(c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 40n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant mouse DAGLbeta expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211259
PNG
(CHEMBL3934441)
Show SMILES O=C(N1CCCC[C@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 44n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 46n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human MAGL 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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 46n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid by HPLC analysis


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065645
PNG
(CHEMBL3402827)
Show SMILES O=C(N1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12)n1cncn1
Show InChI InChI=1S/C23H20N4O/c28-23(27-16-24-15-25-27)26-13-11-19(12-14-26)22-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)22/h1-10,15-16H,11-14H2
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n/an/a 47n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid by HPLC analysis


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 ABHD6


(Homo sapiens)
BDBM50118168
PNG
(CHEMBL3613162)
Show SMILES Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H13N3O3/c16-12-6-4-5-11(9-12)10-18-15(19)21-14(17-18)20-13-7-2-1-3-8-13/h1-9H,10,16H2
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n/an/a 73n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50118168
PNG
(CHEMBL3613162)
Show SMILES Nc1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H13N3O3/c16-12-6-4-5-11(9-12)10-18-15(19)21-14(17-18)20-13-7-2-1-3-8-13/h1-9H,10,16H2
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n/an/a 74n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM50211235
PNG
(CHEMBL3974512)
Show SMILES OC(c1cn(nn1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c33-27(31-19-11-10-18-25(31)20-22-12-4-1-5-13-22)32-21-26(29-30-32)28(34,23-14-6-2-7-15-23)24-16-8-3-9-17-24/h1-9,12-17,21,25,34H,10-11,18-20H2
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant mouse DAGLbeta expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT-...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase beta


(Mus musculus)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 79n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse DAGLbeta expressed in HEK293T cell membranes using PNP butyrate as substrate by colorimetric assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 87n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


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 ABHD6


(Homo sapiens)
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 87n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


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 ABHD6


(Homo sapiens)
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 91n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


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 ABHD6


(Homo sapiens)
BDBM50118167
PNG
(CHEMBL3613671)
Show SMILES CN(C1CCCCCCC1)C(=O)Oc1nsnc1N1CCOCC1
Show InChI InChI=1S/C16H26N4O3S/c1-19(13-7-5-3-2-4-6-8-13)16(21)23-15-14(17-24-18-15)20-9-11-22-12-10-20/h13H,2-12H2,1H3
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n/an/a 93n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells at 1 uM pre-incubated for 10 mins before 2-AG substrate addition followed by rapid 40 fold compou...


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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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n/an/a 130n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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n/an/a 130n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 209n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 10 mins by HPLC analysis


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 ABHD6


(Homo sapiens)
BDBM50118173
PNG
(CHEMBL3613003)
Show SMILES COc1nn(Cc2cccc(N)c2)c(=O)o1
Show InChI InChI=1S/C10H11N3O3/c1-15-9-12-13(10(14)16-9)6-7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
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n/an/a 216n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50118173
PNG
(CHEMBL3613003)
Show SMILES COc1nn(Cc2cccc(N)c2)c(=O)o1
Show InChI InChI=1S/C10H11N3O3/c1-15-9-12-13(10(14)16-9)6-7-3-2-4-8(11)5-7/h2-5H,6,11H2,1H3
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n/an/a 219n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 224n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 30 mins by HPLC analysis


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 257n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 60 mins by HPLC analysis


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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 309n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Reversible inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid after 90 mins by HPLC analysis


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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211270
PNG
(CHEMBL3907846)
Show SMILES CC(O)(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3
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n/an/a 398n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50118164
PNG
(CHEMBL3613666)
Show SMILES COC(=O)c1cccc(Cn2nc(OC)oc2=O)c1
Show InChI InChI=1S/C12H12N2O5/c1-17-10(15)9-5-3-4-8(6-9)7-14-12(16)19-11(13-14)18-2/h3-6H,7H2,1-2H3
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n/an/a 450n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50118164
PNG
(CHEMBL3613666)
Show SMILES COC(=O)c1cccc(Cn2nc(OC)oc2=O)c1
Show InChI InChI=1S/C12H12N2O5/c1-17-10(15)9-5-3-4-8(6-9)7-14-12(16)19-11(13-14)18-2/h3-6H,7H2,1-2H3
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n/an/a 450n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211259
PNG
(CHEMBL3934441)
Show SMILES O=C(N1CCCC[C@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome preincubated for 30 mins followed by MB064 probe addition measured af...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211259
PNG
(CHEMBL3934441)
Show SMILES O=C(N1CCCC[C@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50065645
PNG
(CHEMBL3402827)
Show SMILES O=C(N1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12)n1cncn1
Show InChI InChI=1S/C23H20N4O/c28-23(27-16-24-15-25-27)26-13-11-19(12-14-26)22-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)22/h1-10,15-16H,11-14H2
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n/an/a 750n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 containing pCMV6-AC-hABHD6 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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211259
PNG
(CHEMBL3934441)
Show SMILES O=C(N1CCCC[C@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2/t25-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50118172
PNG
(CHEMBL3613668)
Show SMILES COc1nn(Cc2cccc(c2)C(F)(F)F)c(=O)o1
Show InChI InChI=1S/C11H9F3N2O3/c1-18-9-15-16(10(17)19-9)6-7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3
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n/an/a 870n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50118172
PNG
(CHEMBL3613668)
Show SMILES COc1nn(Cc2cccc(c2)C(F)(F)F)c(=O)o1
Show InChI InChI=1S/C11H9F3N2O3/c1-18-9-15-16(10(17)19-9)6-7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3
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n/an/a 870n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211263
PNG
(CHEMBL3956962)
Show SMILES OC1(CCCCC1)c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C21H28N4O2/c26-20(25-22-16-19(23-25)21(27)12-6-2-7-13-21)24-14-8-5-11-18(24)15-17-9-3-1-4-10-17/h1,3-4,9-10,16,18,27H,2,5-8,11-15H2
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n/an/a 1.59E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes overexpressing MAGL using natural substrate 1-stearoyl-2-arachidonoly-s...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cells assessed as reduction in glycerol production from 1-AG hydrolysis pre-incubated for 30 mins befor...


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 ABHD6


(Homo sapiens)
BDBM50065640
PNG
(CHEMBL3401455)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C(=O)n2cncn2)c1
Show InChI InChI=1S/C22H20ClN5O/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 containing pCMV6-AC-hABHD6 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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant human DAGLalpha expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens)
BDBM50211236
PNG
(CHEMBL2144065)
Show SMILES O=C(N1CCCCC1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N4O/c32-27(30-18-8-7-13-25(30)19-21-9-3-1-4-10-21)31-20-26(28-29-31)24-16-14-23(15-17-24)22-11-5-2-6-12-22/h1-6,9-12,14-17,20,25H,7-8,13,18-19H2
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n/an/a 2.51E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of HT-01 probe binding to recombinant human DAGLalpha expressed in HEK293T cell membrane proteomes preincubated for 30 mins followed by HT...


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211263
PNG
(CHEMBL3956962)
Show SMILES OC1(CCCCC1)c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1
Show InChI InChI=1S/C21H28N4O2/c26-20(25-22-16-19(23-25)21(27)12-6-2-7-13-21)24-14-8-5-11-18(24)15-17-9-3-1-4-10-17/h1,3-4,9-10,16,18,27H,2,5-8,11-15H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens)
BDBM50211270
PNG
(CHEMBL3907846)
Show SMILES CC(O)(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-23(29,19-12-6-3-7-13-19)21-17-24-27(25-21)22(28)26-15-9-8-14-20(26)16-18-10-4-2-5-11-18/h2-7,10-13,17,20,29H,8-9,14-16H2,1H3
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n/an/a 3.16E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based assay


J Med Chem 60: 428-440 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01482
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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n/an/a 3.24E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human MAGL 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
Monoglyceride lipase


(Homo sapiens (human))
BDBM50118169
PNG
(CHEMBL3613161)
Show SMILES [O-][N+](=O)c1cccc(Cn2nc(Oc3ccccc3)oc2=O)c1
Show InChI InChI=1S/C15H11N3O5/c19-15-17(10-11-5-4-6-12(9-11)18(20)21)16-14(23-15)22-13-7-2-1-3-8-13/h1-9H,10H2
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n/an/a 3.31E+3n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human MAGL 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
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