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Compile Data Set for Download or QSAR

Found 296 hits with Last Name = 'janssen' and Initial = 'fj'   
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
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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 700n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membranes assessed as reduction in hydrolysis of inhibition of [14C]-sn-1-oleoyl-2-arachidono...

J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50048620
PNG
(CHEMBL3319620)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)15-14-20-16-23(12-13-24(20)33-26)34(30,31)27(18-25(28)29)17-19-8-10-22(11-9-19)32-21-6-4-3-5-7-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,29)
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 800n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate

J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50048618
PNG
(CHEMBL3319622)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H25F3N2O6S/c1-25(2)12-11-18-13-21(8-9-22(18)37-25)38(34,35)31(16-24(32)33)15-17-3-6-20(7-4-17)36-23-10-5-19(14-30-23)26(27,28)29/h3-10,13-14H,11-12,15-16H2,1-2H3,(H,32,33)
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 2.70E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate

J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50532885
PNG
(CHEMBL4470017)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC |r|
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24?,25-,26-,27-/m0/s1
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 6.00E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Antagonist activity at CBR1 (unknown origin)

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50532885
PNG
(CHEMBL4470017)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC |r|
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24?,25-,26-,27-/m0/s1
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 6.00E+3n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Antagonist activity at CBR1 (unknown origin)

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50048621
PNG
(CHEMBL3319619)
Show SMILES CC1(C)CCc2cc(ccc2O1)S(=O)(=O)N(CC(O)=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C26H27NO6S/c1-26(2)14-13-20-16-23(11-12-24(20)33-26)34(30,31)27(18-25(28)29)17-19-7-6-10-22(15-19)32-21-8-4-3-5-9-21/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,28,29)
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 1.83E+4n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293T cell membranes assessed as reduction in glycerol production using 2-arachidonoyl glycerol substrate

J Med Chem 57: 6610-22 (2014)


Article DOI: 10.1021/jm500681z
BindingDB Entry DOI: 10.7270/Q2R49SD4
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using PNP butyrate as substrate by colorimetric surro...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.251n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using PNP butyrate as substrate by colorimetric surro...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using DiFMU-octanoate as substrate by fluorogenic sur...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.398n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal HA-tagged DAGLalpha expressed in HEK293F cell membrane fractions using DiFMU-octanoate as substrate by fluorogenic sur...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 0.501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 0.501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211240
PNG
(CHEMBL3897587)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1
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n/an/a 0.631n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 0.631n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r|
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211265
PNG
(CHEMBL3954476)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H26F2N4O2/c29-23-13-9-21(10-14-23)28(36,22-11-15-24(30)16-12-22)26-19-31-34(32-26)27(35)33-17-5-4-8-25(33)18-20-6-2-1-3-7-20/h1-3,6-7,9-16,19,25,36H,4-5,8,17-18H2/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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211271
PNG
(CHEMBL3913807)
Show SMILES CO[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-16-15-25(17-20-5-3-2-4-6-20)34(19-26)28(36)35-32-18-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h2-14,18,25-26,37H,15-17,19H2,1H3/t25-,26-/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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211269
PNG
(CHEMBL3970032)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4O2/c29-23-13-9-21(10-14-23)28(36,22-11-15-24(30)16-12-22)26-19-31-34(32-26)27(35)33-17-5-4-8-25(33)18-20-6-2-1-3-7-20/h1-3,6-7,9-16,19,25,36H,4-5,8,17-18H2
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n/an/a 1n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe ad...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 1.30n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)		BDBM50211271
PNG
(CHEMBL3913807)
Show SMILES CO[C@@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-16-15-25(17-20-5-3-2-4-6-20)34(19-26)28(36)35-32-18-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h2-14,18,25-26,37H,15-17,19H2,1H3/t25-,26-/m1/s1
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n/an/a 2n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)		BDBM50211240
PNG
(CHEMBL3897587)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C32H32F2N4O3/c33-26-12-8-24(9-13-26)32(40,25-10-14-27(34)15-11-25)30-19-35-38(36-30)31(39)37-20-29(41-21-23-6-7-23)17-16-28(37)18-22-4-2-1-3-5-22/h1-5,8-15,19,23,28-29,40H,6-7,16-18,20-21H2/t28-,29-/m1/s1
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n/an/a 2n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r|
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211260
PNG
(CHEMBL3964338)
Show SMILES OC(c1cnn(n1)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)32-29-21-26(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 2.5n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50519345
PNG
(CHEMBL4447844)
Show SMILES Cc1ccc(cc1)-c1cnc2nc(oc2c1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3
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n/an/a 3.20n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membrane fractions using PNP butyrate as substrate preincubated for 20 mins followed by subst...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50519345
PNG
(CHEMBL4447844)
Show SMILES Cc1ccc(cc1)-c1cnc2nc(oc2c1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human DAGLalpha expressed in HEK293T cell membrane fractions using PNP butyrate as substrate preincubated for 20 mins followed by subst...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211233
PNG
(CHEMBL3941507)
Show SMILES COc1cccc(CC2CCCCN2C(=O)n2ncc(n2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-7-4-5-20(18-26)17-25-6-2-3-16-34(25)28(36)35-32-19-27(33-35)29(37,21-8-12-23(30)13-9-21)22-10-14-24(31)15-11-22/h4-5,7-15,18-19,25,37H,2-3,6,16-17H2,1H3
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n/an/a 3.20n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50161525
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one...)
Show SMILES O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C21H24N2O2/c24-18(21-23-20-19(25-21)15-10-16-22-20)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16H,1-4,6,9,11,14H2
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n/an/a 3.60n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay

J Med Chem 58: 9742-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01627
BindingDB Entry DOI: 10.7270/Q2D50QZ9
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLalpha expressed in HEK293F cell membranes using 1-stearoyl-2-arachidonoyl-sn-glycerol as substrate preincubated fo...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50532882
PNG
(CHEMBL4476210)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
Show InChI InChI=1S/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-/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLalpha expressed in HEK293F cell membranes using 1-stearoyl-2-arachidonoyl-sn-glycerol as substrate preincubated fo...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211256
PNG
(CHEMBL3921538)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H25F3N4O3/c29-21-8-4-19(5-9-21)28(37,20-6-10-22(30)11-7-20)26-17-32-35(33-26)27(36)34-16-2-1-3-24(34)18-38-25-14-12-23(31)13-15-25/h4-15,17,24,37H,1-3,16,18H2
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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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211277
PNG
(CHEMBL3903742)
Show SMILES COc1ccc(CC2CCCCN2C(=O)n2ncc(n2)C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-15-5-20(6-16-26)18-25-4-2-3-17-34(25)28(36)35-32-19-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h5-16,19,25,37H,2-4,17-18H2,1H3
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n/an/a 5n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM50211257
PNG
(CHEMBL3895863 | US10583137, Compound 14)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@@H](CC[C@@H]1Cc1ccccc1)OCC#C)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H28F2N4O3/c1-2-18-40-28-17-16-27(19-22-6-4-3-5-7-22)36(21-28)30(38)37-34-20-29(35-37)31(39,23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h1,3-15,20,27-28,39H,16-19,21H2/t27-,28-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG as substrate preincubated for 30 mins followed by ABP HT01 probe add...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211274
PNG
(CHEMBL3916842)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F2N4O3/c29-22-13-9-20(10-14-22)28(36,21-11-15-23(30)16-12-21)26-18-31-34(32-26)27(35)33-17-5-4-6-24(33)19-37-25-7-2-1-3-8-25/h1-3,7-16,18,24,36H,4-6,17,19H2
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n/an/a 5n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Homo sapiens (Human))		BDBM50532885
PNG
(CHEMBL4470017)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC |r|
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24?,25-,26-,27-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLbeta catalytic domain expressed in HEK293F cell membranes using EnzChek as substrate preincubated for 5 mins follo...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211273
PNG
(CHEMBL3986579)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccc(F)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H27FN4O3/c29-23-14-16-25(17-15-23)36-20-24-13-7-8-18-32(24)27(34)33-30-19-26(31-33)28(35,21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,14-17,19,24,35H,7-8,13,18,20H2
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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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Homo sapiens (Human))		BDBM50532885
PNG
(CHEMBL4470017)
Show SMILES CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC |r|
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24?,25-,26-,27-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged DAGLbeta catalytic domain expressed in HEK293F cell membranes using EnzChek as substrate preincubated for 5 mins follo...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211262
PNG
(CHEMBL3922787)
Show SMILES CO[C@H]1CC[C@H](Cc2ccccc2)N(C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C29H28F2N4O3/c1-38-26-16-15-25(17-20-5-3-2-4-6-20)34(19-26)28(36)35-32-18-27(33-35)29(37,21-7-11-23(30)12-8-21)22-9-13-24(31)14-10-22/h2-14,18,25-26,37H,15-17,19H2,1H3/t25-,26+/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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as substrate preincubated for 30 mins followed by substrate addition by en...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211261
PNG
(CHEMBL3897762)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCCC1COc1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O3/c33-27(31-19-11-10-16-24(31)21-35-25-17-8-3-9-18-25)32-29-20-26(30-32)28(34,22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-15,17-18,20,24,34H,10-11,16,19,21H2
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n/an/a 7.90n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Mus musculus)		BDBM50211266
PNG
(CHEMBL3906477)
Show SMILES O=C(N1CCCC[C@@H]1Cc1ccccc1)n1cc(nn1)-c1ccc(cc1)-c1ccccc1 |r|
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Diacylglycerol lipase-beta


(Mus musculus)		BDBM434879
PNG
(US10583137, Compound 17 | tert-Butyl 3-benzyl-4-(4...)
Show SMILES CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C1)C(=O)n1cc(nn1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
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n/an/a 7.90n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as substrate preincubated for 30 mins followed by substrate addition by en...

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50519345
PNG
(CHEMBL4447844)
Show SMILES Cc1ccc(cc1)-c1cnc2nc(oc2c1)C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C25H24N2O2/c1-18-12-14-20(15-13-18)21-16-23-24(26-17-21)27-25(29-23)22(28)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-17H,3,6-7,10-11H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha (unknown origin) by natural substrate assay

Bioorg Med Chem Lett 26: 3831-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.076
BindingDB Entry DOI: 10.7270/Q20C508W
More data for this
Ligand-Target Pair
Diacylglycerol lipase-alpha


(Homo sapiens (Human))		BDBM50211255
PNG
(CHEMBL3925845)
Show SMILES COC(c1cnn(n1)C(=O)N1CCCCC1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H28F2N4O2/c1-37-29(22-10-14-24(30)15-11-22,23-12-16-25(31)17-13-23)27-20-32-35(33-27)28(36)34-18-6-5-9-26(34)19-21-7-3-2-4-8-21/h2-4,7-8,10-17,20,26H,5-6,9,18-19H2,1H3
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n/an/a 13n/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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
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