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14 similar compounds to monomer 50211223

Compile data set for download or QSAR
Wt: 360.3
BDBM50242401
Purchase
Wt: 314.4
BDBM50211220
Wt: 314.4
BDBM50211221
Wt: 358.4
BDBM50211222
Wt: 595.6
BDBM50211224
Purchase
Wt: 609.6
BDBM50211225
Wt: 660.7
BDBM50211228
Wt: 662.7
BDBM50211229
Wt: 747.8
BDBM50211231
Wt: 646.7
BDBM50211232
Wt: 518.5
BDBM50211233
Wt: 502.5
BDBM50211234
Wt: 452.5
BDBM50211235
Wt: 422.5
BDBM50211236

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50242401,50211220,50211221,50211222,50211224,50211225,50211228,50211229,50211231,50211232,50211233,50211234,50211235,50211236   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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0.350n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of mouse DAGL-alpha expressed in HEK293T cell membranes assessed as inhibition constant pre-incubated for 20 mins before PNP-butyrate subs...


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


(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 25n/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
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50211220
PNG
(CHEMBL3970846)
Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)/t16-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50211221
PNG
(CHEMBL3982852)
Show SMILES C1N=C(Nc2ccc3scnc3c2)OC11CN2CCC1CC2
Show InChI InChI=1S/C16H18N4OS/c1-2-14-13(18-10-22-14)7-12(1)19-15-17-8-16(21-15)9-20-5-3-11(16)4-6-20/h1-2,7,10-11H,3-6,8-9H2,(H,17,19)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211222
PNG
(CHEMBL3932288)
Show SMILES COc1ccc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2c1
Show InChI InChI=1S/C18H22N4O2S/c1-23-13-2-3-14-15(10-13)25-17(20-14)21-16-19-7-6-18(24-16)11-22-8-4-12(18)5-9-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211221
PNG
(CHEMBL3982852)
Show SMILES C1N=C(Nc2ccc3scnc3c2)OC11CN2CCC1CC2
Show InChI InChI=1S/C16H18N4OS/c1-2-14-13(18-10-22-14)7-12(1)19-15-17-8-16(21-15)9-20-5-3-11(16)4-6-20/h1-2,7,10-11H,3-6,8-9H2,(H,17,19)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50211220
PNG
(CHEMBL3970846)
Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2
Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)/t16-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT3A expressed in HEK293 cells assessed as reduction in acetylcholine-induced activity preincubated for 30 mins follow...


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50211222
PNG
(CHEMBL3932288)
Show SMILES COc1ccc2nc(NC3=NCCC4(CN5CCC4CC5)O3)sc2c1
Show InChI InChI=1S/C18H22N4O2S/c1-23-13-2-3-14-15(10-13)25-17(20-14)21-16-19-7-6-18(24-16)11-22-8-4-12(18)5-9-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay


J Med Chem 59: 11171-11181 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01506
BindingDB Entry DOI: 10.7270/Q2NS0X2H
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211224
PNG
(CHEMBL3962651)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1
Show InChI InChI=1S/C32H36F3N5O3/c1-22-6-9-25(20-29(22)43-26-10-13-40(14-11-26)31(42)28-5-3-4-12-36-28)37-30(41)23-7-8-24(27(19-23)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-9,12,19-20,26H,10-11,13-18,21H2,1-2H3,(H,37,41)
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n/an/a 644n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
BindingDB Entry DOI: 10.7270/Q2J10591
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50211225
PNG
(CHEMBL3957831)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1
Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)
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n/an/a 214n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal polyhistidine-tagged human c-KIT expressed in mammalian expression system using Tyr 06 peptide as substrate meas...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
BindingDB Entry DOI: 10.7270/Q2J10591
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211224
PNG
(CHEMBL3962651)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3ccccn3)c2)CC1
Show InChI InChI=1S/C32H36F3N5O3/c1-22-6-9-25(20-29(22)43-26-10-13-40(14-11-26)31(42)28-5-3-4-12-36-28)37-30(41)23-7-8-24(27(19-23)32(33,34)35)21-39-17-15-38(2)16-18-39/h3-9,12,19-20,26H,10-11,13-18,21H2,1-2H3,(H,37,41)
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n/an/a 30n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
BindingDB Entry DOI: 10.7270/Q2J10591
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50211225
PNG
(CHEMBL3957831)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(OC3CCN(CC3)C(=O)c3cncc(C)c3)c2)CC1
Show InChI InChI=1S/C33H38F3N5O3/c1-22-16-26(20-37-19-22)32(43)41-10-8-28(9-11-41)44-30-18-27(7-4-23(30)2)38-31(42)24-5-6-25(29(17-24)33(34,35)36)21-40-14-12-39(3)13-15-40/h4-7,16-20,28H,8-15,21H2,1-3H3,(H,38,42)
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n/an/a 6n/an/an/an/an/an/a



High Magnetic Field Laboratory

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ABL1 expressed in baculovirus infected SF9 cells using Tyr 02 peptide as substrate measured after 1 hr by F...


J Med Chem 60: 273-289 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01290
BindingDB Entry DOI: 10.7270/Q2J10591
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211228
PNG
(CHEMBL3956740)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C38H40N6O5/c1-4-47-37(45)36-27(2)43(26-28-13-7-5-8-14-28)33-19-18-31(24-32(33)36)48-22-12-11-21-39-25-29-17-20-34(35(23-29)46-3)49-38-40-41-42-44(38)30-15-9-6-10-16-30/h5-10,13-20,23-24,39H,4,11-12,21-22,25-26H2,1-3H3
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211229
PNG
(CHEMBL3955315)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C37H38N6O6/c1-4-47-36(45)35-25(2)42(23-26-11-7-5-8-12-26)32-17-16-30(20-31(32)35)48-24-29(44)22-38-21-27-15-18-33(34(19-27)46-3)49-37-39-40-41-43(37)28-13-9-6-10-14-28/h5-20,29,38,44H,4,21-24H2,1-3H3
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n/an/a 4.93E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211231
PNG
(CHEMBL3945575)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCC(O)COc3ccc4n(Cc5ccccc5)c(C)c(C(=O)OCC)c4c3)cc12
Show InChI InChI=1S/C44H49N3O8/c1-5-52-43(50)41-29(3)46(25-31-13-9-7-10-14-31)39-19-17-35(21-37(39)41)54-27-33(48)23-45-24-34(49)28-55-36-18-20-40-38(22-36)42(44(51)53-6-2)30(4)47(40)26-32-15-11-8-12-16-32/h7-22,33-34,45,48-49H,5-6,23-28H2,1-4H3
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n/an/a 1.99E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211232
PNG
(CHEMBL3929187)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
Show InChI InChI=1S/C37H38N6O5/c1-4-46-36(44)35-26(2)42(25-27-12-7-5-8-13-27)32-18-17-30(23-31(32)35)47-21-11-20-38-24-28-16-19-33(34(22-28)45-3)48-37-39-40-41-43(37)29-14-9-6-10-15-29/h5-10,12-19,22-23,38H,4,11,20-21,24-25H2,1-3H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
BindingDB Entry DOI: 10.7270/Q2D79DKR
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(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 158n/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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50211234
PNG
(CHEMBL3904310)
Show SMILES O[C@@H]1CN([C@@H](Cc2ccccc2)C=C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H24F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-15,17,24-25,35,37H,16,18H2/t24-,25+/m1/s1
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n/an/a 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
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific 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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific 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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific 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
Monoacylglycerol lipase ABHD6


(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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50211234
PNG
(CHEMBL3904310)
Show SMILES O[C@@H]1CN([C@@H](Cc2ccccc2)C=C1)C(=O)n1ncc(n1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H24F2N4O3/c29-22-10-6-20(7-11-22)28(37,21-8-12-23(30)13-9-21)26-17-31-34(32-26)27(36)33-18-25(35)15-14-24(33)16-19-4-2-1-3-5-19/h1-15,17,24-25,35,37H,16,18H2/t24-,25+/m1/s1
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n/an/a 251n/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
Sn1-specific 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 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
BindingDB Entry DOI: 10.7270/Q28K7C79
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
BindingDB Entry DOI: 10.7270/Q28K7C79
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
BindingDB Entry DOI: 10.7270/Q28K7C79
More data for this
Ligand-Target Pair
Sn1-specific 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
AMPK alpha2/beta1/gamma1


(Homo sapiens (Human))
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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n/an/an/an/a 390n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of human AMPK alpha2/beta1/gamma1 expressed in Escherichia coli BL21


J Med Chem 61: 6421-6467 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00180
BindingDB Entry DOI: 10.7270/Q2DJ5J62
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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n/an/an/a 510n/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta1gamma1 expressed in Escherichia coli BL21 cells after 1 to...


J Med Chem 59: 2879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01201
BindingDB Entry DOI: 10.7270/Q26976KB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AMPK alpha1/beta2/gamma1


(Homo sapiens (Human))
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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n/an/an/a 1.45E+4n/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant N-terminal AVI-tagged phosphorylated AMPK alpha1beta2gamma1 expressed in Escherichia coli BL21 cells after 1 to...


J Med Chem 59: 2879-93 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01201
BindingDB Entry DOI: 10.7270/Q26976KB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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n/an/an/an/a 800n/an/an/an/a



Volgograd State Medical University

Curated by ChEMBL


Assay Description
Activation of human AMPK alpha1/beta1/gamma1 expressed in baculovirus/Sf9 cells using SAMS peptide as substrate incubated for 15 mins by in presence ...


Bioorg Med Chem Lett 29: 2443-2447 (2019)


Article DOI: 10.1016/j.bmcl.2019.07.035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 V-tagged mouse DAGLbeta expressed in HEK2934T cell membrane fractions using SAG as substrate assessed as accumulation of 2-AG preincuba...


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 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 V-tagged mouse DAGLbeta expressed in HEK2934T cell membrane fractions using SAG as substrate assessed as accumulation of 2-AG preincuba...


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 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 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
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 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
More data for this
Ligand-Target Pair
Sn1-specific 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 2.51E+3n/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
More data for this
Ligand-Target Pair
Sn1-specific 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 25n/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
More data for this
Ligand-Target Pair
Sn1-specific 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 2.51E+3n/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
More data for this
Ligand-Target Pair
AMP-activated protein kinase, alpha-1 subunit


(Rattus norvegicus)
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
PDB
MMDB

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n/an/an/an/a 116n/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Activation of rat AMPKalpha1alpha2beta1gamma1 kinase


J Biol Chem 282: 32549-60 (2007)


Article DOI: 10.1074/jbc.M706536200
BindingDB Entry DOI: 10.7270/Q2BC3ZBQ
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens (Human))
BDBM50242401
PNG
(4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-di...)
Show SMILES Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Show InChI InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25)
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n/an/an/a 487n/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity for full length human N-terminal His/BAP-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus by surface pla...


Bioorg Med Chem Lett 26: 5139-5148 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.065
BindingDB Entry DOI: 10.7270/Q25M67PH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)