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Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'ezekowitz' and Initial = 'rab'   
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


(Homo sapiens (Human))
BDBM50503336
PNG
(CHEMBL4437377)
Show SMILES O[C@@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503340
PNG
(CHEMBL4468636)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CC3COCC3C2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)16-2-1-13(17(7-16)34-9-14-11-36-12-15(14)10-34)8-32-3-5-33(6-4-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,7,14-15,18H,3-6,8-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503331
PNG
(CHEMBL4522687)
Show SMILES O[C@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m0/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM179948
PNG
(US9133148, 2l)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1cccnc1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O2/c20-18(21,22)16(19(23,24)25)31-17(30)29-9-7-28(8-10-29)15(13-3-1-5-26-11-13)14-4-2-6-27-12-14/h1-6,11-12,15-16H,7-10H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180039
PNG
(US9133148, 9ad)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-3-1-2-13(15(14)28-8-10-31-11-9-28)12-27-4-6-29(7-5-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-3,16H,4-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503334
PNG
(CHEMBL4468639)
Show SMILES FCCN1CCN(CC1)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H26ClF7N4O2/c22-16-2-1-15(17(13-16)32-9-5-30(4-3-23)6-10-32)14-31-7-11-33(12-8-31)19(34)35-18(20(24,25)26)21(27,28)29/h1-2,13,18H,3-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503335
PNG
(CHEMBL4450649)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCC3(C2)CCOCC3)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(18(13-17)36-6-3-21(15-36)4-11-38-12-5-21)14-34-7-9-35(10-8-34)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180078
PNG
(US9133148, 10g)
Show SMILES Cn1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C19H19ClF6N4O2/c1-28-10-12(15(27-28)13-4-2-3-5-14(13)20)11-29-6-8-30(9-7-29)17(31)32-16(18(21,22)23)19(24,25)26/h2-5,10,16H,6-9,11H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503339
PNG
(CHEMBL4469632)
Show SMILES Cn1ncc2cc(ccc12)C(N1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C25H24F6N6O2/c1-34-19-5-3-15(11-17(19)13-32-34)21(16-4-6-20-18(12-16)14-33-35(20)2)36-7-9-37(10-8-36)23(38)39-22(24(26,27)28)25(29,30)31/h3-6,11-14,21-22H,7-10H2,1-2H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503336
PNG
(CHEMBL4437377)
Show SMILES O[C@@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503333
PNG
(CHEMBL4539731)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)O2 |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-11-15-3-4-16(12-34)36-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503342
PNG
(CHEMBL4436074)
Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(c1)N1CCCC1
Show InChI InChI=1S/C20H25F6N3O4S/c1-34(31,32)15-5-4-14(16(12-15)28-6-2-3-7-28)13-27-8-10-29(11-9-27)18(30)33-17(19(21,22)23)20(24,25)26/h4-5,12,17H,2-3,6-11,13H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503327
PNG
(CHEMBL4435014)
Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503344
PNG
(CHEMBL4439400)
Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-15-3-4-16(34)12-36-11-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
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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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503333
PNG
(CHEMBL4539731)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)O2 |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-11-15-3-4-16(12-34)36-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503337
PNG
(CHEMBL4517565)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CC3CCC(C2)O3)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503331
PNG
(CHEMBL4522687)
Show SMILES O[C@H]1CCN(C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)13-2-1-12(15(9-13)32-4-3-14(33)11-32)10-30-5-7-31(8-6-30)17(34)35-16(19(24,25)26)20(27,28)29/h1-2,9,14,16,33H,3-8,10-11H2/t14-/m0/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503334
PNG
(CHEMBL4468639)
Show SMILES FCCN1CCN(CC1)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H26ClF7N4O2/c22-16-2-1-15(17(13-16)32-9-5-30(4-3-23)6-10-32)14-31-7-11-33(12-8-31)19(34)35-18(20(24,25)26)21(27,28)29/h1-2,13,18H,3-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180033
PNG
(US9133148, 9x)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Br)cc2N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22BrF6N3O2/c20-14-4-3-13(15(11-14)28-5-1-2-6-28)12-27-7-9-29(10-8-27)17(30)31-16(18(21,22)23)19(24,25)26/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503345
PNG
(CHEMBL4550205)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F9N3O2/c22-19(23,24)15-5-4-14(16(12-15)32-6-2-1-3-7-32)13-31-8-10-33(11-9-31)18(34)35-17(20(25,26)27)21(28,29)30/h4-5,12,17H,1-3,6-11,13H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503340
PNG
(CHEMBL4468636)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CC3COCC3C2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)16-2-1-13(17(7-16)34-9-14-11-36-12-15(14)10-34)8-32-3-5-33(6-4-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,7,14-15,18H,3-6,8-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180029
PNG
(US9133148, 9t)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-2-1-13(15(11-14)28-7-9-31-10-8-28)12-27-3-5-29(6-4-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-2,11,16H,3-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180076
PNG
(US9133148, 10e)
Show SMILES Cn1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C19H20F6N4O2/c1-27-11-14(15(26-27)13-5-3-2-4-6-13)12-28-7-9-29(10-8-28)17(30)31-16(18(20,21)22)19(23,24)25/h2-6,11,16H,7-10,12H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503338
PNG
(CHEMBL4584757)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C15H15ClF6N2O2/c16-11-3-1-10(2-4-11)9-23-5-7-24(8-6-23)13(25)26-12(14(17,18)19)15(20,21)22/h1-4,12H,5-9H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503335
PNG
(CHEMBL4450649)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCC3(C2)CCOCC3)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(18(13-17)36-6-3-21(15-36)4-11-38-12-5-21)14-34-7-9-35(10-8-34)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180012
PNG
(US9133148, 9c)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)14-2-1-13(15(11-14)31-7-9-34-10-8-31)12-30-3-5-32(6-4-30)17(33)35-16(19(24,25)26)20(27,28)29/h1-2,11,16H,3-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM179948
PNG
(US9133148, 2l)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(CC1)C(c1cccnc1)c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C19H18F6N4O2/c20-18(21,22)16(19(23,24)25)31-17(30)29-9-7-28(8-10-29)15(13-3-1-5-26-11-13)14-4-2-6-27-12-14/h1-6,11-12,15-16H,7-10H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503329
PNG
(CHEMBL4546592)
Show SMILES CN1CC2CN(CC2C1)c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H27F9N4O2/c1-33-9-15-12-36(13-16(15)10-33)18-8-17(21(24,25)26)3-2-14(18)11-34-4-6-35(7-5-34)20(37)38-19(22(27,28)29)23(30,31)32/h2-3,8,15-16,19H,4-7,9-13H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180035
PNG
(US9133148, 9z)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O2/c20-14-4-3-13(15(11-14)28-5-1-2-6-28)12-27-7-9-29(10-8-27)17(30)31-16(18(21,22)23)19(24,25)26/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM180052
PNG
(US9133148, 9aq)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180075
PNG
(US9133148, 10d)
Show SMILES Cn1nc(cc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C19H20F6N4O2/c1-27-14(11-15(26-27)13-5-3-2-4-6-13)12-28-7-9-29(10-8-28)17(30)31-16(18(20,21)22)19(23,24)25/h2-6,11,16H,7-10,12H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503337
PNG
(CHEMBL4517565)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CC3CCC(C2)O3)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24ClF6N3O3/c22-14-2-1-13(17(9-14)31-11-15-3-4-16(12-31)33-15)10-29-5-7-30(8-6-29)19(32)34-18(20(23,24)25)21(26,27)28/h1-2,9,15-16,18H,3-8,10-12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180035
PNG
(US9133148, 9z)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O2/c20-14-4-3-13(15(11-14)28-5-1-2-6-28)12-27-7-9-29(10-8-27)17(30)31-16(18(21,22)23)19(24,25)26/h3-4,11,16H,1-2,5-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503344
PNG
(CHEMBL4439400)
Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F9N3O3/c23-20(24,25)14-2-1-13(17(9-14)34-15-3-4-16(34)12-36-11-15)10-32-5-7-33(8-6-32)19(35)37-18(21(26,27)28)22(29,30)31/h1-2,9,15-16,18H,3-8,10-12H2/t15-,16+
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503330
PNG
(CHEMBL4529300)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C#C)CC1)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O2/c1-2-15-5-6-16(17(13-15)29-7-3-4-8-29)14-28-9-11-30(12-10-28)19(31)32-18(20(22,23)24)21(25,26)27/h1,5-6,13,18H,3-4,7-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50503343
PNG
(CHEMBL4434763)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C20H24ClF6N3O2/c21-15-5-4-14(16(12-15)29-6-2-1-3-7-29)13-28-8-10-30(11-9-28)18(31)32-17(19(22,23)24)20(25,26)27/h4-5,12,17H,1-3,6-11,13H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180012
PNG
(US9133148, 9c)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H22F9N3O3/c21-18(22,23)14-2-1-13(15(11-14)31-7-9-34-10-8-31)12-30-3-5-32(6-4-30)17(33)35-16(19(24,25)26)20(27,28)29/h1-2,11,16H,3-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503327
PNG
(CHEMBL4435014)
Show SMILES [H][C@]12CCCN1CN(CC2)c1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C22H27ClF6N4O2/c23-16-4-3-15(18(12-16)33-7-5-17-2-1-6-32(17)14-33)13-30-8-10-31(11-9-30)20(34)35-19(21(24,25)26)22(27,28)29/h3-4,12,17,19H,1-2,5-11,13-14H2/t17-/m1/s1
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM179946
PNG
(US9133148, 2j)
Show SMILES Cc1cc(Cl)ccc1C(N1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1C
Show InChI InChI=1S/C23H22Cl2F6N2O2/c1-13-11-15(24)3-5-17(13)19(18-6-4-16(25)12-14(18)2)32-7-9-33(10-8-32)21(34)35-20(22(26,27)28)23(29,30)31/h3-6,11-12,19-20H,7-10H2,1-2H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50503339
PNG
(CHEMBL4469632)
Show SMILES Cn1ncc2cc(ccc12)C(N1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C25H24F6N6O2/c1-34-19-5-3-15(11-17(19)13-32-34)21(16-4-6-20-18(12-16)14-33-35(20)2)36-7-9-37(10-8-36)23(38)39-22(24(26,27)28)25(29,30)31/h3-6,11-14,21-22H,7-10H2,1-2H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50503339
PNG
(CHEMBL4469632)
Show SMILES Cn1ncc2cc(ccc12)C(N1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc2n(C)ncc2c1
Show InChI InChI=1S/C25H24F6N6O2/c1-34-19-5-3-15(11-17(19)13-32-34)21(16-4-6-20-18(12-16)14-33-35(20)2)36-7-9-37(10-8-36)23(38)39-22(24(26,27)28)25(29,30)31/h3-6,11-14,21-22H,7-10H2,1-2H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM180042
PNG
(US9133148, 9ag)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2cc(Cl)ccc2N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C19H22ClF6N3O3/c20-14-1-2-15(28-7-9-31-10-8-28)13(11-14)12-27-3-5-29(6-4-27)17(30)32-16(18(21,22)23)19(24,25)26/h1-2,11,16H,3-10,12H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50503342
PNG
(CHEMBL4436074)
Show SMILES CS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(c1)N1CCCC1
Show InChI InChI=1S/C20H25F6N3O4S/c1-34(31,32)15-5-4-14(16(12-15)28-6-2-3-7-28)13-27-8-10-29(11-9-27)18(30)33-17(19(21,22)23)20(24,25)26/h4-5,12,17H,2-3,6-11,13H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503343
PNG
(CHEMBL4434763)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(Cl)cc2N2CCCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C20H24ClF6N3O2/c21-15-5-4-14(16(12-15)29-6-2-1-3-7-29)13-28-8-10-30(11-9-28)18(31)32-17(19(22,23)24)20(25,26)27/h4-5,12,17H,1-3,6-11,13H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM180076
PNG
(US9133148, 10e)
Show SMILES Cn1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(n1)-c1ccccc1
Show InChI InChI=1S/C19H20F6N4O2/c1-27-11-14(15(26-27)13-5-3-2-4-6-13)12-28-7-9-29(10-8-28)17(30)31-16(18(20,21)22)19(23,24)25/h2-6,11,16H,7-10,12H2,1H3
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503345
PNG
(CHEMBL4550205)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F9N3O2/c22-19(23,24)15-5-4-14(16(12-15)32-6-2-1-3-7-32)13-31-8-10-33(11-9-31)18(34)35-17(20(25,26)27)21(28,29)30/h4-5,12,17H,1-3,6-11,13H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM50503330
PNG
(CHEMBL4529300)
Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C#C)CC1)C(F)(F)F
Show InChI InChI=1S/C21H23F6N3O2/c1-2-15-5-6-16(17(13-15)29-7-3-4-8-29)14-28-9-11-30(12-10-28)19(31)32-18(20(22,23)24)21(25,26)27/h1,5-6,13,18H,3-4,7-12,14H2
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Abide Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay


J Med Chem 61: 9062-9084 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00951
BindingDB Entry DOI: 10.7270/Q2TH8QZH
More data for this
Ligand-Target Pair
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