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Compile Data Set for Download or QSAR

Found 433 hits Enz. Inhib. hit(s) with Target = 'Monoglyceride Lipase (MGL)'   
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
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 0.0700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247049
PNG
(CHEMBL462610 | ethyl 3,5,6-trichloropyridin-2-yl d...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1/C19H31Cl3NO3P/c1-3-5-6-7-8-9-10-11-12-13-14-27(24,25-4-2)26-19-17(21)15-16(20)18(22)23-19/h15H,3-14H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50450752
PNG
(CHEMBL4216513)
Show SMILES O=C(N1CCC(CC1)=C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H20N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12H,5-8,13-14H2
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n/an/a 0.191n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50099618
PNG
(CHEMBL1232635)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
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n/an/a 0.219n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50065646
PNG
(CHEMBL3087181)
Show SMILES O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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n/an/a 0.275n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247051
PNG
(CHEMBL512224 | isopropyl 4-nitrophenyl dodecylphos...)
Show SMILES CCCCCCCCCCCCP(=O)(OC(C)C)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1/C21H36NO5P/c1-4-5-6-7-8-9-10-11-12-13-18-28(25,26-19(2)3)27-21-16-14-20(15-17-21)22(23)24/h14-17,19H,4-13,18H2,1-3H3
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n/an/a 0.280n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50102829
PNG
(CHEMBL3356956)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C20H21N5O/c26-20(25-16-21-15-22-25)24-13-11-23(12-14-24)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,19H,11-14H2
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n/an/a 0.309n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247052
PNG
(2-Nonylsulfanyl-4H-benzo[1,3,2]dioxaphosphinine 2-...)
Show SMILES CCCCCCCCCSP1(=O)OCc2ccccc2O1
Show InChI InChI=1/C16H25O3PS/c1-2-3-4-5-6-7-10-13-21-20(17)18-14-15-11-8-9-12-16(15)19-20/h8-9,11-12H,2-7,10,13-14H2,1H3
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n/an/a 0.310n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 0.800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50132717
PNG
(CHEMBL333149 | Isopropyl dodecylfluorophosphonate ...)
Show SMILES CCCCCCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1/C15H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h15H,4-14H2,1-3H3
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n/an/a 0.800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247048
PNG
(CHEMBL462609 | methyl icosylphosphonofluoridate)
Show SMILES CCCCCCCCCCCCCCCCCCCCP(F)(=O)OC
Show InChI InChI=1/C21H44FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h3-21H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50450707
PNG
(CHEMBL4215558)
Show SMILES FC(F)(F)C(OC(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C16H17ClF6N2O4S/c17-11-1-3-12(4-2-11)30(27,28)24-9-10-5-7-25(8-6-10)14(26)29-13(15(18,19)20)16(21,22)23/h1-4,10,13,24H,5-9H2
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50324698
PNG
(CHEMBL1222256 | Ethyl octylfluorophosphonate)
Show SMILES CCCCCCCCP(F)(=O)OC(C)C
Show InChI InChI=1/C11H24FO2P/c1-4-5-6-7-8-9-10-15(12,13)14-11(2)3/h11H,4-10H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 5.30n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 6n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain membranes preincubated for 30 mins


Eur J Med Chem 63: 64-75 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.050
BindingDB Entry DOI: 10.7270/Q2377B2N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM179950
PNG
(US9133148, 3a)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2
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n/an/a 7.60n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 8n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant MAGL expressed in african green monkey COS7 cells assessed as inhibition of 2-AG hydrolysis after 30 mins by LC-MS an...


Bioorg Med Chem Lett 21: 6782-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.038
BindingDB Entry DOI: 10.7270/Q2TH8N3G
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 8n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in C57B1/6J mouse brain membrane after 30 mins by using 2-AG as a substrate by LC-MS method


Nat Chem Biol 5: 37-44 (2008)


Article DOI: 10.1038/nchembio.129
BindingDB Entry DOI: 10.7270/Q2DN4582
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins


Nat Chem Biol 4: 373-8 (2008)


Article DOI: 10.1038/nchembio.86
BindingDB Entry DOI: 10.7270/Q2SX6DF4
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM60622
PNG
(BDBM50300355 | US9133148, A)
Show SMILES OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H24N2O9/c30-26(38-21-5-3-20(4-6-21)29(32)33)28-11-9-17(10-12-28)27(31,18-1-7-22-24(13-18)36-15-34-22)19-2-8-23-25(14-19)37-16-35-23/h1-8,13-14,17,31H,9-12,15-16H2
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n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247086
PNG
(CHEMBL444970 | Chlorphrifos oxon | diethyl 3,5,6-t...)
Show SMILES CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307065
PNG
(4-Nitrophenyl 4-((4-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cc(cs3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-20-8-6-19(7-9-20)25(27)28)24-12-10-23(11-13-24)15-21-14-18(16-30-21)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2
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n/an/a 10n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307072
PNG
(4-Nitrophenyl 4-(Biphenyl-4-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C24H23N3O4/c28-24(31-23-12-10-22(11-13-23)27(29)30)26-16-14-25(15-17-26)18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13H,14-18H2
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n/an/a 15n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM179929
PNG
(US9133148, 1a)
Show SMILES OC(C1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C24H21F6NO7/c25-23(26,27)20(24(28,29)30)38-21(32)31-7-5-13(6-8-31)22(33,14-1-3-16-18(9-14)36-11-34-16)15-2-4-17-19(10-15)37-12-35-17/h1-4,9-10,13,20,33H,5-8,11-12H2
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n/an/a 15n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL preincubated for 30 mins followed by FP-Rh addition after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50350559
PNG
(CHEMBL1812718)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C25H24N2O5/c28-25(32-23-11-9-21(10-12-23)27(29)30)26-15-13-19(14-16-26)17-20-5-4-8-24(18-20)31-22-6-2-1-3-7-22/h1-12,18-19H,13-17H2
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n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL


Bioorg Med Chem Lett 21: 4674-85 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.096
BindingDB Entry DOI: 10.7270/Q2W959JK
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307083
PNG
(4-nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carb...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
Show InChI InChI=1S/C24H23N3O5/c28-24(32-22-11-9-20(10-12-22)27(29)30)26-15-13-25(14-16-26)18-19-5-4-8-23(17-19)31-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2
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n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM179938
PNG
(US9133148, 2b)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C21H18Cl2F6N2O2/c22-15-5-1-13(2-6-15)17(14-3-7-16(23)8-4-14)30-9-11-31(12-10-30)19(32)33-18(20(24,25)26)21(27,28)29/h1-8,17-18H,9-12H2
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n/an/a 38n/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Inhibition of mouse MAGL after 30 mins by gel-based ABPP assay


J Med Chem 60: 4-46 (2017)

More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307073
PNG
(4-nitrophenyl 4-(hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(O)(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O7/c1-34-23-9-3-19(4-10-23)27(31,20-5-11-24(35-2)12-6-20)21-15-17-28(18-16-21)26(30)36-25-13-7-22(8-14-25)29(32)33/h3-14,21,31H,15-18H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307085
PNG
(4-Nitrophenyl 4-((5-Phenylthiophen-2-yl)methyl)pip...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(s3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4S/c26-22(29-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(30-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 50n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307086
PNG
(4-Nitrophenyl 4-(3-(Pyridin-2-yloxy)benzyl)piperaz...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)cc1
Show InChI InChI=1S/C23H22N4O5/c28-23(32-20-9-7-19(8-10-20)27(29)30)26-14-12-25(13-15-26)17-18-4-3-5-21(16-18)31-22-6-1-2-11-24-22/h1-11,16H,12-15,17H2
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n/an/a 50n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307081
PNG
(4-Nitrophenyl 4-((5-(2-(Trifluoromethoxy)phenyl)fu...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3OC(F)(F)F)CC2)cc1
Show InChI InChI=1S/C23H20F3N3O6/c24-23(25,26)35-21-4-2-1-3-19(21)20-10-9-18(33-20)15-27-11-13-28(14-12-27)22(30)34-17-7-5-16(6-8-17)29(31)32/h1-10H,11-15H2
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n/an/a 70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307087
PNG
(4-Nitrophenyl 4-(Naphthalen-2-ylmethyl)piperazine-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4c3)CC2)cc1
Show InChI InChI=1S/C22H21N3O4/c26-22(29-21-9-7-20(8-10-21)25(27)28)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 70n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50247050
PNG
(4-cyanophenyl ethyl dodecylphosphonate | CHEMBL462...)
Show SMILES CCCCCCCCCCCCP(=O)(OCC)Oc1ccc(cc1)C#N
Show InChI InChI=1/C21H34NO3P/c1-3-5-6-7-8-9-10-11-12-13-18-26(23,24-4-2)25-21-16-14-20(19-22)15-17-21/h14-17H,3-13,18H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of MAGL-mediated [14C]1-oleoylglycerol hydrolysis in mouse brain


Bioorg Med Chem Lett 18: 5875-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.007
BindingDB Entry DOI: 10.7270/Q2S75G4N
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307061
PNG
(4-Nitrophenyl 4-(Hydroxybis(4-methoxyphenyl)methyl...)
Show SMILES COc1ccc(cc1)C(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OC)cc1
Show InChI InChI=1S/C27H28N2O6/c1-33-23-9-3-19(4-10-23)26(20-5-11-24(34-2)12-6-20)21-15-17-28(18-16-21)27(30)35-25-13-7-22(8-14-25)29(31)32/h3-14,21,26H,15-18H2,1-2H3
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n/an/a 73n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307060
PNG
(4-Nitrophenyl 4-(Quinolin-2-ylmethyl)piperazine-1-...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc4ccccc4n3)CC2)cc1
Show InChI InChI=1S/C21H20N4O4/c26-21(29-19-9-7-18(8-10-19)25(27)28)24-13-11-23(12-14-24)15-17-6-5-16-3-1-2-4-20(16)22-17/h1-10H,11-15H2
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n/an/a 80n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307089
PNG
(4-Nitrophenyl 4-(4-(Benzyloxy)-2-methoxybenzyl)pip...)
Show SMILES COc1cc(OCc2ccccc2)ccc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H27N3O6/c1-33-25-17-24(34-19-20-5-3-2-4-6-20)10-7-21(25)18-27-13-15-28(16-14-27)26(30)35-23-11-8-22(9-12-23)29(31)32/h2-12,17H,13-16,18-19H2,1H3
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307084
PNG
(4-Nitrophenyl 4-((5-Phenylfuran-2-yl)methyl)pipera...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCN(Cc3ccc(o3)-c3ccccc3)CC2)cc1
Show InChI InChI=1S/C22H21N3O5/c26-22(30-19-8-6-18(7-9-19)25(27)28)24-14-12-23(13-15-24)16-20-10-11-21(29-20)17-4-2-1-3-5-17/h1-11H,12-16H2
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50307088
PNG
(4-Nitrophenyl 4-(5-Bromo-2-hydroxybenzyl)piperazin...)
Show SMILES Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H18BrN3O5/c19-14-1-6-17(23)13(11-14)12-20-7-9-21(10-8-20)18(24)27-16-4-2-15(3-5-16)22(25)26/h1-6,11,23H,7-10,12H2
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n/an/a 90n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MAGL in mouse brain membrane


J Med Chem 53: 1830-42 (2010)


Article DOI: 10.1021/jm9016976
BindingDB Entry DOI: 10.7270/Q2KH0NFR
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280598
PNG
(US10030020, Example 143)
Show SMILES CS(=O)(=O)N1CCCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c12
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-12-3-7-16-5-2-6-17(18(16)32)15-31-11-4-8-21(31)9-13-30(14-10-21)20(33)36-19(22(24,25)26)23(27,28)29/h2,5-6,19H,3-4,7-15H2,1H3
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280600
PNG
(US10030020, Example 145)
Show SMILES CC(=O)N1CCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)32-11-6-17-4-2-5-18(19(17)15-32)14-33-10-3-7-22(33)8-12-31(13-9-22)21(35)36-20(23(25,26)27)24(28,29)30/h2,4-5,20H,3,6-15H2,1H3
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280601
PNG
(US10030020, Example 146)
Show SMILES CS(=O)(=O)N1CCc2cccc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-11-6-16-4-2-5-17(18(16)15-32)14-31-10-3-7-21(31)8-12-30(13-9-21)20(33)36-19(22(24,25)26)23(27,28)29/h2,4-5,19H,3,6-15H2,1H3
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280603
PNG
(US10030020, Example 148)
Show InChI InChI=1S/C25H31F6N3O2/c26-24(27,28)21(25(29,30)31)36-22(35)32-13-9-23(10-14-32)8-2-11-34(23)15-18-4-1-3-17-7-12-33(16-20(17)18)19-5-6-19/h1,3-4,19,21H,2,5-16H2
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280605
PNG
(US10030020, Example 150)
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280606
PNG
(US10030020, Example 151)
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n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280607
PNG
(US10030020, Example 152)
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Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280609
PNG
(US10030020, Example 154)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280610
PNG
(US10030020, Example 155)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280611
PNG
(US10030020, Example 156)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280612
PNG
(US10030020, Example 157)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM280614
PNG
(US10030020, Example 159)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
UniChem
Article
US Patent
n/an/a<100n/an/an/an/an/an/a



ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (mouse brain membrane fraction or cell lysates) (50 μL, 1.0 mg/mL total protein concentration) were preincubated with varying concentr...


US Patent US10030020 (2018)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
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