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Compile Data Set for Download or QSAR

Found 677 hits Enz. Inhib. hit(s) with all data for entry = 592   
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))
BDBM280555
PNG
(US10030020, Example 100)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H31ClF6N4O4S/c1-40(37,38)35-13-11-32(12-14-35)19-15-18(25)4-3-17(19)16-34-8-2-5-22(34)6-9-33(10-7-22)21(36)39-20(23(26,27)28)24(29,30)31/h3-4,15,20H,2,5-14,16H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280556
PNG
(US10030020, Example 101)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)cc2N2CCC(F)(F)CC2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28ClF8N3O2/c25-17-3-2-16(18(14-17)34-12-7-22(26,27)8-13-34)15-36-9-1-4-21(36)5-10-35(11-6-21)20(37)38-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280557
PNG
(US10030020, Example 102)
Show SMILES FC1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H29ClF7N3O2/c25-17-3-2-16(19(14-17)33-10-4-18(26)5-11-33)15-35-9-1-6-22(35)7-12-34(13-8-22)21(36)37-20(23(27,28)29)24(30,31)32/h2-3,14,18,20H,1,4-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280559
PNG
(US10030020, Example 104)
Show SMILES CC(=O)NC1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H33ClF6N4O3/c1-17(38)34-20-5-11-35(12-6-20)21-15-19(27)4-3-18(21)16-37-10-2-7-24(37)8-13-36(14-9-24)23(39)40-22(25(28,29)30)26(31,32)33/h3-4,15,20,22H,2,5-14,16H2,1H3,(H,34,38)
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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)

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


(Mus musculus (mouse))
BDBM280560
PNG
(US10030020, Example 105)
Show SMILES CS(=O)(=O)NC1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H33ClF6N4O4S/c1-41(38,39)33-19-5-11-34(12-6-19)20-15-18(26)4-3-17(20)16-36-10-2-7-23(36)8-13-35(14-9-23)22(37)40-21(24(27,28)29)25(30,31)32/h3-4,15,19,21,33H,2,5-14,16H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280562
PNG
(US10030020, Example 107)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)cc2N2CCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C22H26ClF6N3O2/c23-16-4-3-15(17(13-16)30-8-2-9-30)14-32-10-1-5-20(32)6-11-31(12-7-20)19(33)34-18(21(24,25)26)22(27,28)29/h3-4,13,18H,1-2,5-12,14H2
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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)

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


(Mus musculus (mouse))
BDBM280563
PNG
(US10030020, Example 108)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)cc2N2CC3COCC3C2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O3/c26-19-3-2-16(20(10-19)34-11-17-14-37-15-18(17)12-34)13-35-7-1-4-23(35)5-8-33(9-6-23)22(36)38-21(24(27,28)29)25(30,31)32/h2-3,10,17-18,21H,1,4-9,11-15H2
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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)

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


(Mus musculus (mouse))
BDBM280564
PNG
(US10030020, Example 109)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(N3C4CCC3COC4)c2Cl)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O3/c26-20-16(3-1-4-19(20)35-17-5-6-18(35)15-37-14-17)13-34-10-2-7-23(34)8-11-33(12-9-23)22(36)38-21(24(27,28)29)25(30,31)32/h1,3-4,17-18,21H,2,5-15H2
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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)

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


(Mus musculus (mouse))
BDBM280565
PNG
(US10030020, Example 110)
Show SMILES FC1CCN(CC1)c1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1Cl
Show InChI InChI=1S/C24H29ClF7N3O2/c25-19-16(3-1-4-18(19)33-11-5-17(26)6-12-33)15-35-10-2-7-22(35)8-13-34(14-9-22)21(36)37-20(23(27,28)29)24(30,31)32/h1,3-4,17,20H,2,5-15H2
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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)

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


(Mus musculus (mouse))
BDBM280566
PNG
(US10030020, Example 111)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(N3CCC(F)(F)CC3)c2Cl)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28ClF8N3O2/c25-18-16(3-1-4-17(18)34-13-8-22(26,27)9-14-34)15-36-10-2-5-21(36)6-11-35(12-7-21)20(37)38-19(23(28,29)30)24(31,32)33/h1,3-4,19H,2,5-15H2
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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)

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


(Mus musculus (mouse))
BDBM280567
PNG
(US10030020, Example 112)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(N3CC4COCC4C3)c2Cl)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O3/c26-20-16(3-1-4-19(20)34-11-17-14-37-15-18(17)12-34)13-35-8-2-5-23(35)6-9-33(10-7-23)22(36)38-21(24(27,28)29)25(30,31)32/h1,3-4,17-18,21H,2,5-15H2
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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)

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


(Mus musculus (mouse))
BDBM280568
PNG
(US10030020, Example 113)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(N3CCN(CS(=O)=O)CC3)c2Cl)CC1)C(F)(F)F
Show InChI InChI=1S/C24H31ClF6N4O4S/c25-19-17(3-1-4-18(19)33-13-11-32(12-14-33)16-40(37)38)15-35-8-2-5-22(35)6-9-34(10-7-22)21(36)39-20(23(26,27)28)24(29,30)31/h1,3-4,20,40H,2,5-16H2
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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)

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


(Mus musculus (mouse))
BDBM280569
PNG
(US10030020, Example 114)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc(N3CCN(CC=O)CC3)c2Cl)CC1)C(F)(F)F
Show InChI InChI=1S/C25H31ClF6N4O3/c26-20-18(3-1-4-19(20)34-13-11-33(12-14-34)15-16-37)17-36-8-2-5-23(36)6-9-35(10-7-23)22(38)39-21(24(27,28)29)25(30,31)32/h1,3-4,16,21H,2,5-15,17H2
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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)

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


(Mus musculus (mouse))
BDBM280571
PNG
(US10030020, Example 116)
Show SMILES CCN1CCN(CC1)c1cccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1Cl
Show InChI InChI=1S/C25H33ClF6N4O2/c1-2-33-13-15-34(16-14-33)19-6-3-5-18(20(19)26)17-36-10-4-7-23(36)8-11-35(12-9-23)22(37)38-21(24(27,28)29)25(30,31)32/h3,5-6,21H,2,4,7-17H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280574
PNG
(US10030020, Example 119)
Show SMILES OC(=O)C1CCN(CC1)c1cc(ccc1CN1CCC2(C1)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-2-1-17(19(13-18)37-8-3-16(4-9-37)20(39)40)14-36-10-5-23(15-36)6-11-38(12-7-23)22(41)42-21(25(30,31)32)26(33,34)35/h1-2,13,16,21H,3-12,14-15H2,(H,39,40)
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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280574
PNG
(US10030020, Example 119)
Show SMILES OC(=O)C1CCN(CC1)c1cc(ccc1CN1CCC2(C1)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-2-1-17(19(13-18)37-8-3-16(4-9-37)20(39)40)14-36-10-5-23(15-36)6-11-38(12-7-23)22(41)42-21(25(30,31)32)26(33,34)35/h1-2,13,16,21H,3-12,14-15H2,(H,39,40)
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ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280575
PNG
(US10030020, Example 120)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-3-2-17(19(14-18)33-10-4-16(5-11-33)20(36)37)15-35-9-1-6-23(35)7-12-34(13-8-23)22(38)39-21(24(27,28)29)25(30,31)32/h2-3,14,16,21H,1,4-13,15H2,(H,36,37)
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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280575
PNG
(US10030020, Example 120)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-3-2-17(19(14-18)33-10-4-16(5-11-33)20(36)37)15-35-9-1-6-23(35)7-12-34(13-8-23)22(38)39-21(24(27,28)29)25(30,31)32/h2-3,14,16,21H,1,4-13,15H2,(H,36,37)
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US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280576
PNG
(US10030020, Example 121)
Show SMILES OC(=O)C1CCN(CC1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-3-2-17(19(14-18)36-10-4-16(5-11-36)20(39)40)15-38-9-1-6-23(38)7-12-37(13-8-23)22(41)42-21(25(30,31)32)26(33,34)35/h2-3,14,16,21H,1,4-13,15H2,(H,39,40)
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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280576
PNG
(US10030020, Example 121)
Show SMILES OC(=O)C1CCN(CC1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-3-2-17(19(14-18)36-10-4-16(5-11-36)20(39)40)15-38-9-1-6-23(38)7-12-37(13-8-23)22(41)42-21(25(30,31)32)26(33,34)35/h2-3,14,16,21H,1,4-13,15H2,(H,39,40)
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Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280577
PNG
(US10030020, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280577
PNG
(US10030020, Example 122)
Show SMILES OC(=O)C1CCN(CC1)c1cc(Cl)cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C25H30ClF6N3O4/c26-18-12-16(13-19(14-18)33-8-2-17(3-9-33)20(36)37)15-35-7-1-4-23(35)5-10-34(11-6-23)22(38)39-21(24(27,28)29)25(30,31)32/h12-14,17,21H,1-11,15H2,(H,36,37)
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ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280578
PNG
(US10030020, Example 123)
Show SMILES OC(=O)C1CCN(CC1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-12-16(13-19(14-18)36-8-2-17(3-9-36)20(39)40)15-38-7-1-4-23(38)5-10-37(11-6-23)22(41)42-21(25(30,31)32)26(33,34)35/h12-14,17,21H,1-11,15H2,(H,39,40)
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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280578
PNG
(US10030020, Example 123)
Show SMILES OC(=O)C1CCN(CC1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-12-16(13-19(14-18)36-8-2-17(3-9-36)20(39)40)15-38-7-1-4-23(38)5-10-37(11-6-23)22(41)42-21(25(30,31)32)26(33,34)35/h12-14,17,21H,1-11,15H2,(H,39,40)
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Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280579
PNG
(US10030020, Example 124)
Show SMILES Cc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C20H23ClF6N2O2/c1-13-11-14(3-4-15(13)21)12-29-8-2-5-18(29)6-9-28(10-7-18)17(30)31-16(19(22,23)24)20(25,26)27/h3-4,11,16H,2,5-10,12H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280580
PNG
(US10030020, Example 125)
Show SMILES Cc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C20H23ClF6N2O2/c1-13-3-4-14(11-15(13)21)12-29-8-2-5-18(29)6-9-28(10-7-18)17(30)31-16(19(22,23)24)20(25,26)27/h3-4,11,16H,2,5-10,12H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280581
PNG
(US10030020, Example 126)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc3OCCOc3c2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O4/c22-20(23,24)17(21(25,26)27)33-18(30)28-8-5-19(6-9-28)4-1-7-29(19)13-14-2-3-15-16(12-14)32-11-10-31-15/h2-3,12,17H,1,4-11,13H2
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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)

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


(Mus musculus (mouse))
BDBM280583
PNG
(US10030020, Example 128)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(N3CCCC3)c(Cl)c2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-14-16(4-5-18(17)31-9-1-2-10-31)15-33-11-3-6-21(33)7-12-32(13-8-21)20(34)35-19(22(25,26)27)23(28,29)30/h4-5,14,19H,1-3,6-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280584
PNG
(US10030020, Example 129)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(N3CCOCC3)c(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-14-16(2-3-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280585
PNG
(US10030020, Example 130)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(N3CCCC3)c(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O2/c25-22(26,27)17-14-16(4-5-18(17)34-9-1-2-10-34)15-36-11-3-6-21(36)7-12-35(13-8-21)20(37)38-19(23(28,29)30)24(31,32)33/h4-5,14,19H,1-3,6-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280586
PNG
(US10030020, Example 131)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(c2)N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-3-2-16(14-18(17)31-10-12-35-13-11-31)15-33-7-1-4-21(33)5-8-32(9-6-21)20(34)36-19(22(25,26)27)23(28,29)30/h2-3,14,19H,1,4-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280587
PNG
(US10030020, Example 132)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(c2)N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-5-4-16(14-18(17)31-9-1-2-10-31)15-33-11-3-6-21(33)7-12-32(13-8-21)20(34)35-19(22(25,26)27)23(28,29)30/h4-5,14,19H,1-3,6-13,15H2
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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)

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


(Mus musculus (mouse))
BDBM280588
PNG
(US10030020, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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ABIDE THERAPEUTICS, INC.

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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280588
PNG
(US10030020, Example 133)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-3-2-16(14-18(17)34-10-12-38-13-11-34)15-36-7-1-4-21(36)5-8-35(9-6-21)20(37)39-19(23(28,29)30)24(31,32)33/h2-3,14,19H,1,4-13,15H2
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ABIDE THERAPEUTICS, INC.

US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280589
PNG
(US10030020, Example 134)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O2/c25-22(26,27)17-5-4-16(14-18(17)34-9-1-2-10-34)15-36-11-3-6-21(36)7-12-35(13-8-21)20(37)38-19(23(28,29)30)24(31,32)33/h4-5,14,19H,1-3,6-13,15H2
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ABIDE THERAPEUTICS, INC.

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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)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280589
PNG
(US10030020, Example 134)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(c2)N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O2/c25-22(26,27)17-5-4-16(14-18(17)34-9-1-2-10-34)15-36-11-3-6-21(36)7-12-35(13-8-21)20(37)38-19(23(28,29)30)24(31,32)33/h4-5,14,19H,1-3,6-13,15H2
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US Patent


Assay Description
Proteomes (human prefrontal cortex or cell membrane fractions) (50 μL, 1.0-2.0 mg/mL total protein concentration) were preincubated with varying...


US Patent US10030020 (2018)

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


(Mus musculus (mouse))
BDBM280590
PNG
(US10030020, Example 135)
Show SMILES Cc1cc(CN2CCC3(C2)CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C20H23ClF6N2O2/c1-13-10-14(2-3-15(13)21)11-28-7-4-18(12-28)5-8-29(9-6-18)17(30)31-16(19(22,23)24)20(25,26)27/h2-3,10,16H,4-9,11-12H2,1H3
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ABIDE THERAPEUTICS, INC.

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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)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280592
PNG
(US10030020, Example 137)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc4OCCOc4c3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O4/c22-20(23,24)17(21(25,26)27)33-18(30)29-7-4-19(5-8-29)3-6-28(13-19)12-14-1-2-15-16(11-14)32-10-9-31-15/h1-2,11,17H,3-10,12-13H2
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ABIDE THERAPEUTICS, INC.

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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)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280593
PNG
(US10030020, Example 138)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)c(Cl)c3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-13-16(1-2-18(17)32-9-11-35-12-10-32)14-31-6-3-21(15-31)4-7-33(8-5-21)20(34)36-19(22(25,26)27)23(28,29)30/h1-2,13,19H,3-12,14-15H2
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ABIDE THERAPEUTICS, INC.

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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)

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


(Mus musculus (mouse))
BDBM280595
PNG
(US10030020, Example 140)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(N4CCOCC4)c(c3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-13-16(1-2-18(17)35-9-11-38-12-10-35)14-34-6-3-21(15-34)4-7-36(8-5-21)20(37)39-19(23(28,29)30)24(31,32)33/h1-2,13,19H,3-12,14-15H2
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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)

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


(Mus musculus (mouse))
BDBM280480
PNG
(US10030020, Example 25)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3N3CC4COCC4C3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H30ClF6N3O3/c26-19-2-1-16(20(9-19)35-11-17-13-37-14-18(17)12-35)10-33-6-3-23(15-33)4-7-34(8-5-23)22(36)38-21(24(27,28)29)25(30,31)32/h1-2,9,17-18,21H,3-8,10-15H2
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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)

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


(Mus musculus (mouse))
BDBM280481
PNG
(US10030020, Example 26)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(cc3N3CC4COCC4C3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O3/c27-24(28,29)19-2-1-16(20(9-19)38-11-17-13-40-14-18(17)12-38)10-36-6-3-23(15-36)4-7-37(8-5-23)22(39)41-21(25(30,31)32)26(33,34)35/h1-2,9,17-18,21H,3-8,10-15H2
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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)

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


(Mus musculus (mouse))
BDBM280483
PNG
(US10030020, Example 28)
Show SMILES FCCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H24ClF7N2O3/c22-15-3-2-14(12-16(15)33-11-7-23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

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


(Mus musculus (mouse))
BDBM280484
PNG
(US10030020, Example 29)
Show SMILES FCCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H24F8N2O3/c22-7-11-33-16-12-14(2-3-15(16)23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

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


(Mus musculus (mouse))
BDBM280485
PNG
(US10030020, Example 30)
Show SMILES FCCOc1cc(Cl)ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24ClF7N2O3/c22-15-3-2-14(16(12-15)33-11-7-23)13-31-8-1-4-19(31)5-9-30(10-6-19)18(32)34-17(20(24,25)26)21(27,28)29/h2-3,12,17H,1,4-11,13H2
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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)

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


(Mus musculus (mouse))
BDBM280486
PNG
(US10030020, Example 31)
Show SMILES FCCOc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H25F7N2O3/c22-9-13-32-16-4-2-15(3-5-16)14-30-10-1-6-19(30)7-11-29(12-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h2-5,17H,1,6-14H2
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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)

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


(Mus musculus (mouse))
BDBM280487
PNG
(US10030020, Example 32)
Show SMILES CCOc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1Cl
Show InChI InChI=1S/C21H25ClF6N2O3/c1-2-32-16-12-14(4-5-15(16)22)13-30-9-3-6-19(30)7-10-29(11-8-19)18(31)33-17(20(23,24)25)21(26,27)28/h4-5,12,17H,2-3,6-11,13H2,1H3
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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)

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


(Mus musculus (mouse))
BDBM280488
PNG
(US10030020, Example 33)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Cl)cc(c2)N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O3/c24-17-12-16(13-18(14-17)31-8-10-35-11-9-31)15-33-5-1-2-21(33)3-6-32(7-4-21)20(34)36-19(22(25,26)27)23(28,29)30/h12-14,19H,1-11,15H2
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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)

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


(Mus musculus (mouse))
BDBM280489
PNG
(US10030020, Example 34)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Cl)cc(c2)N2CCCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-12-16(13-18(14-17)31-7-1-2-8-31)15-33-9-3-4-21(33)5-10-32(11-6-21)20(34)35-19(22(25,26)27)23(28,29)30/h12-14,19H,1-11,15H2
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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)

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


(Mus musculus (mouse))
BDBM280490
PNG
(US10030020, Example 35)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(cc(c2)C(F)(F)F)N2CCOCC2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-12-16(13-18(14-17)34-8-10-38-11-9-34)15-36-5-1-2-21(36)3-6-35(7-4-21)20(37)39-19(23(28,29)30)24(31,32)33/h12-14,19H,1-11,15H2
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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)

More data for this
Ligand-Target Pair
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