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Compile Data Set for Download or QSAR

Found 27 hits of ic50 data for polymerid = 50006782   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sn1-specific 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
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
Sn1-specific diacylglycerol lipase alpha


(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>1n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific 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
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>1n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific 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
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
Sn1-specific 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
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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211265
PNG
(CHEMBL3954476)
Show SMILES OC(c1cnn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(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/t25-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519341
PNG
(CHEMBL4437021)
Show SMILES OC(c1cn(nn1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(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)26-19-34(32-31-26)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 3.80n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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=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 20n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse N18TG2 cells assessed as inhibition of ionomycin-induced formation of 2-AG incubated for 20 mins by LC-MS analysis


Bioorg Med Chem 24: 1455-68 (2016)


Article DOI: 10.1016/j.bmc.2016.02.006
BindingDB Entry DOI: 10.7270/Q2RJ4MBD
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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 25n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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 25n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50211267
PNG
(CHEMBL3967137)
Show SMILES OC(c1cnn(n1)C(=O)N1C[C@H](CC[C@@H]1Cc1ccccc1)OCC1CC1)(c1ccc(F)cc1)c1ccc(F)cc1
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 79n/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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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
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 79n/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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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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n/an/a 124n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 labeling of DAGLalpha in mouse brain homogenates by activity based protein profiling assay


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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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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n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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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n/an/a 126n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519343
PNG
(CHEMBL4572363)
Show SMILES OC(c1ccn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O2/c30-24-13-9-22(10-14-24)29(36,23-11-15-25(31)16-12-23)27-17-19-34(32-27)28(35)33-18-5-4-8-26(33)20-21-6-2-1-3-7-21/h1-3,6-7,9-17,19,26,36H,4-5,8,18,20H2/t26-/m1/s1
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n/an/a 209n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519343
PNG
(CHEMBL4572363)
Show SMILES OC(c1ccn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O2/c30-24-13-9-22(10-14-24)29(36,23-11-15-25(31)16-12-23)27-17-19-34(32-27)28(35)33-18-5-4-8-26(33)20-21-6-2-1-3-7-21/h1-3,6-7,9-17,19,26,36H,4-5,8,18,20H2/t26-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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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n/an/a 355n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 labeling of DAGLalpha in mouse brain homogenates by activity based protein profiling assay


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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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n/an/a 501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50161518
PNG
(1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...)
Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1
Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
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n/an/a 501n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of DAGLalpha in mouse brain proteome pre-incubated for 30 mins followed by ABP MB064 probe addition for 15 mins by ABPP assay


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


Article DOI: 10.1016/j.bmcl.2016.06.076
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
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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n/an/a 743n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of MB064 labeling of DAGLalpha in mouse brain homogenates by activity based protein profiling assay


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
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519342
PNG
(CHEMBL4532055)
Show SMILES OC(c1ncn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(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)26-31-19-34(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 3.39E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519342
PNG
(CHEMBL4532055)
Show SMILES OC(c1ncn(n1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(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)26-31-19-34(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 3.40E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Mus musculus)
BDBM50519344
PNG
(CHEMBL4545496)
Show SMILES OC(c1cn(cn1)C(=O)N1CCCC[C@@H]1Cc1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H27F2N3O2/c30-24-13-9-22(10-14-24)29(36,23-11-15-25(31)16-12-23)27-19-33(20-32-27)28(35)34-17-5-4-8-26(34)18-21-6-2-1-3-7-21/h1-3,6-7,9-16,19-20,26,36H,4-5,8,17-18H2/t26-/m1/s1
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n/an/a<3.16E+4n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes pre-incubated for 20 mins before PNP-butyrate substrate addition and measured afte...


J Med Chem 62: 7910-7922 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00686
More data for this
Ligand-Target Pair