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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


(Mus musculus (mouse))
BDBM280598
PNG
(US10030020, Example 143 | US10781211, 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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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280600
PNG
(US10030020, Example 145 | US10781211, 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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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280601
PNG
(US10030020, Example 146 | US10781211, 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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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280603
PNG
(BDBM463924 | US10030020, Example 148)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cccc3CCN(Cc23)C2CC2)CC1)C(F)(F)F
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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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280605
PNG
(US10030020, Example 150 | US10781211, Example 150)
Show SMILES CCc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H25F7N2O2/c1-2-15-12-14(4-5-16(15)22)13-30-9-3-6-19(30)7-10-29(11-8-19)18(31)32-17(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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280606
PNG
(US10030020, Example 151 | US10781211, Example 151)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc3COCc3c2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c22-20(23,24)17(21(25,26)27)32-18(30)28-8-5-19(6-9-28)4-1-7-29(19)11-14-2-3-15-12-31-13-16(15)10-14/h2-3,10,17H,1,4-9,11-13H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280607
PNG
(US10030020, Example 152 | US10781211, Example 152)
Show SMILES CCc1cc(CN2CCC3(C2)CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1F
Show InChI InChI=1S/C21H25F7N2O2/c1-2-15-11-14(3-4-16(15)22)12-29-8-5-19(13-29)6-9-30(10-7-19)18(31)32-17(20(23,24)25)21(26,27)28/h3-4,11,17H,2,5-10,12-13H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280608
PNG
(US10030020, Example 153 | US10781211, Example 153)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc4COCc4c3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c22-20(23,24)17(21(25,26)27)32-18(30)29-7-4-19(5-8-29)3-6-28(13-19)10-14-1-2-15-11-31-12-16(15)9-14/h1-2,9,17H,3-8,10-13H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280610
PNG
(US10030020, Example 155 | US10781211, Example 155)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(Cl)c(c3)N3CCCC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C23H28ClF6N3O2/c24-17-4-3-16(13-18(17)32-8-1-2-9-32)14-31-10-5-21(15-31)6-11-33(12-7-21)20(34)35-19(22(25,26)27)23(28,29)30/h3-4,13,19H,1-2,5-12,14-15H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280611
PNG
(US10030020, Example 156 | US10781211, Example 156)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(c(c3)N3CCOCC3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O3/c25-22(26,27)17-2-1-16(13-18(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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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280612
PNG
(US10030020, Example 157 | US10781211, Example 157)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3ccc(c(c3)N3CCCC3)C(F)(F)F)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C24H28F9N3O2/c25-22(26,27)17-4-3-16(13-18(17)35-8-1-2-9-35)14-34-10-5-21(15-34)6-11-36(12-7-21)20(37)38-19(23(28,29)30)24(31,32)33/h3-4,13,19H,1-2,5-12,14-15H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280614
PNG
(US10030020, Example 159 | US10781211, Example 159)
Show SMILES CCN1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C24H31F6N3O2/c1-2-31-10-6-17-4-3-5-18(19(17)15-31)14-32-11-7-22(16-32)8-12-33(13-9-22)21(34)35-20(23(25,26)27)24(28,29)30/h3-5,20H,2,6-16H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280615
PNG
(US10030020, Example 160 | US10781211, Example 160)
Show SMILES CC(=O)N1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)33-9-5-17-3-2-4-18(19(17)14-33)13-31-10-6-22(15-31)7-11-32(12-8-22)21(35)36-20(23(25,26)27)24(28,29)30/h2-4,20H,5-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280615
PNG
(US10030020, Example 160 | US10781211, Example 160)
Show SMILES CC(=O)N1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C24H29F6N3O3/c1-16(34)33-9-5-17-3-2-4-18(19(17)14-33)13-31-10-6-22(15-31)7-11-32(12-8-22)21(35)36-20(23(25,26)27)24(28,29)30/h2-4,20H,5-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280616
PNG
(US10030020, Example 161 | US10781211, Example 161)
Show SMILES CS(=O)(=O)N1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-9-5-16-3-2-4-17(18(16)14-32)13-30-10-6-21(15-30)7-11-31(12-8-21)20(33)36-19(22(24,25)26)23(27,28)29/h2-4,19H,5-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD2


(Mus musculus (Mouse))
BDBM280616
PNG
(US10030020, Example 161 | US10781211, Example 161)
Show SMILES CS(=O)(=O)N1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C23H29F6N3O4S/c1-37(34,35)32-9-5-16-3-2-4-17(18(16)14-32)13-30-10-6-21(15-30)7-11-31(12-8-21)20(33)36-19(22(24,25)26)23(27,28)29/h2-4,19H,5-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280617
PNG
(US10030020, Example 162 | US10781211, Example 162)
Show SMILES CC(C)N1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C25H33F6N3O2/c1-17(2)34-10-6-18-4-3-5-19(20(18)15-34)14-32-11-7-23(16-32)8-12-33(13-9-23)22(35)36-21(24(26,27)28)25(29,30)31/h3-5,17,21H,6-16H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280618
PNG
(US10030020, Example 163 | US10781211, Example 163)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCN(Cc3cccc4CCN(Cc34)C3CC3)C2)CC1)C(F)(F)F
Show InChI InChI=1S/C25H31F6N3O2/c26-24(27,28)21(25(29,30)31)36-22(35)33-12-8-23(9-13-33)7-11-32(16-23)14-18-3-1-2-17-6-10-34(15-20(17)18)19-4-5-19/h1-3,19,21H,4-16H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280619
PNG
(US10030020, Example 164 | US10781211, Example 164)
Show SMILES CC(C)CN1CCc2cccc(CN3CCC4(C3)CCN(CC4)C(=O)OC(C(F)(F)F)C(F)(F)F)c2C1
Show InChI InChI=1S/C26H35F6N3O2/c1-18(2)14-33-10-6-19-4-3-5-20(21(19)16-33)15-34-11-7-24(17-34)8-12-35(13-9-24)23(36)37-22(25(27,28)29)26(30,31)32/h3-5,18,22H,6-17H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280620
PNG
(US10030020, Example 165 | US10781211, Example 165)
Show SMILES CN1CCC(CC1)Oc1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H32F9N3O3/c1-36-11-5-19(6-12-36)40-20-15-18(24(27,28)29)4-3-17(20)16-38-10-2-7-23(38)8-13-37(14-9-23)22(39)41-21(25(30,31)32)26(33,34)35/h3-4,15,19,21H,2,5-14,16H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280621
PNG
(US10030020, Example 166 | US10781211, Example 166)
Show SMILES CN1CCC(CC1)Oc1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H32F9N3O3/c1-36-9-3-19(4-10-36)40-20-14-17(13-18(15-20)24(27,28)29)16-38-8-2-5-23(38)6-11-37(12-7-23)22(39)41-21(25(30,31)32)26(33,34)35/h13-15,19,21H,2-12,16H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280622
PNG
(US10030020, Example 167 | US10781211, Example 167)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(cc2OCC(=O)N2CCCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-5-4-17(19(14-18)41-16-20(39)36-9-1-2-10-36)15-38-11-3-6-23(38)7-12-37(13-8-23)22(40)42-21(25(30,31)32)26(33,34)35/h4-5,14,21H,1-3,6-13,15-16H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280623
PNG
(US10030020, Example 168 | US10781211, Example 168)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OCC(=O)N3CCCC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)18-12-17(13-19(14-18)41-16-20(39)36-7-1-2-8-36)15-38-9-3-4-23(38)5-10-37(11-6-23)22(40)42-21(25(30,31)32)26(33,34)35/h12-14,21H,1-11,15-16H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280624
PNG
(US10030020, Example 169 | US10781211, Example 169)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(cc2OC2CCOCC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O4/c26-23(27,28)17-3-2-16(19(14-17)39-18-4-12-38-13-5-18)15-36-9-1-6-22(36)7-10-35(11-8-22)21(37)40-20(24(29,30)31)25(32,33)34/h2-3,14,18,20H,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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280625
PNG
(US10030020, Example 170 | US10781211, Example 170)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCOCC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O4/c26-23(27,28)17-12-16(13-19(14-17)39-18-2-10-38-11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)40-20(24(29,30)31)25(32,33)34/h12-14,18,20H,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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280627
PNG
(US10030020, Example 172 | US10781211, Example 172)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Oc3nc4ccccc4s3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C27H24F9N3O3S/c28-25(29,30)17-12-16(13-18(14-17)41-22-37-19-4-1-2-5-20(19)43-22)15-39-9-3-6-24(39)7-10-38(11-8-24)23(40)42-21(26(31,32)33)27(34,35)36/h1-2,4-5,12-14,21H,3,6-11,15H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280628
PNG
(US10030020, Example 173 | US10781211, Example 173)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(cc2Oc2cccnc2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H24F9N3O3/c26-23(27,28)17-5-4-16(19(13-17)39-18-3-1-9-35-14-18)15-37-10-2-6-22(37)7-11-36(12-8-22)21(38)40-20(24(29,30)31)25(32,33)34/h1,3-5,9,13-14,20H,2,6-8,10-12,15H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280629
PNG
(US10030020, Example 174 | US10781211, Example 174)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(Oc3cccnc3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H24F9N3O3/c26-23(27,28)17-11-16(12-19(13-17)39-18-3-1-7-35-14-18)15-37-8-2-4-22(37)5-9-36(10-6-22)21(38)40-20(24(29,30)31)25(32,33)34/h1,3,7,11-14,20H,2,4-6,8-10,15H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280630
PNG
(US10030020, Example 175 | US10781211, Example 175)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(cc2OC2CCS(=O)(=O)CC2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-3-2-16(19(14-17)40-18-4-12-42(38,39)13-5-18)15-36-9-1-6-22(36)7-10-35(11-8-22)21(37)41-20(24(29,30)31)25(32,33)34/h2-3,14,18,20H,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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280631
PNG
(US10030020, Example 176 | US10781211, Example 176)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2cc(OC3CCS(=O)(=O)CC3)cc(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C25H29F9N2O5S/c26-23(27,28)17-12-16(13-19(14-17)40-18-2-10-42(38,39)11-3-18)15-36-7-1-4-22(36)5-8-35(9-6-22)21(37)41-20(24(29,30)31)25(32,33)34/h12-14,18,20H,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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280633
PNG
(US10030020, Example 178 | US10781211, Example 178)
Show SMILES NC(=O)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C21H22F9N3O3/c22-19(23,24)14-3-2-12(10-13(14)15(31)34)11-33-7-1-4-18(33)5-8-32(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H2,31,34)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280633
PNG
(US10030020, Example 178 | US10781211, Example 178)
Show SMILES NC(=O)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C21H22F9N3O3/c22-19(23,24)14-3-2-12(10-13(14)15(31)34)11-33-7-1-4-18(33)5-8-32(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H2,31,34)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280634
PNG
(US10030020, Example 179 | US10781211, Example 179)
Show SMILES OC(=O)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-3-2-12(10-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280635
PNG
(US10030020, Example 180 | US10781211, Example 180)
Show SMILES Cc1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H23F9N2O2/c1-13-3-4-14(11-15(13)19(22,23)24)12-32-8-2-5-18(32)6-9-31(10-7-18)17(33)34-16(20(25,26)27)21(28,29)30/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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280636
PNG
(US10030020, Example 181 | US10781211, Example 181)
Show SMILES NC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H22F9N3O3/c22-19(23,24)14-10-12(2-3-13(14)15(31)34)11-33-7-1-4-18(33)5-8-32(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H2,31,34)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280637
PNG
(US10030020, Example 182 | US10781211, Example 182)
Show SMILES OC(=O)c1ccc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
Show InChI InChI=1S/C21H21F9N2O4/c22-19(23,24)14-10-12(2-3-13(14)15(33)34)11-32-7-1-4-18(32)5-8-31(9-6-18)17(35)36-16(20(25,26)27)21(28,29)30/h2-3,10,16H,1,4-9,11H2,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280638
PNG
(US10030020, Example 183 | US10781211, Example 183)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(c(Cl)c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF9N2O2/c21-14-10-12(2-3-13(14)18(22,23)24)11-32-7-1-4-17(32)5-8-31(9-6-17)16(33)34-15(19(25,26)27)20(28,29)30/h2-3,10,15H,1,4-9,11H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280639
PNG
(US10030020, Example 184 | US10781211, Example 184)
Show SMILES FC(F)(F)C(OC(=O)N1CCC2(CCCN2Cc2ccc(Cl)c(c2)C(F)(F)F)CC1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF9N2O2/c21-14-3-2-12(10-13(14)18(22,23)24)11-32-7-1-4-17(32)5-8-31(9-6-17)16(33)34-15(19(25,26)27)20(28,29)30/h2-3,10,15H,1,4-9,11H2
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280642
PNG
(US10030020, Example 187 | US10781211, Example 187)
Show SMILES CC1(C)CC2(CN1Cc1cc(Cl)ccc1N1CCOCC1)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H32ClF6N3O3/c1-22(2)15-23(5-7-34(8-6-23)21(36)38-20(24(27,28)29)25(30,31)32)16-35(22)14-17-13-18(26)3-4-19(17)33-9-11-37-12-10-33/h3-4,13,20H,5-12,14-16H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280644
PNG
(US10030020, Example 189 | US10781211, Example 189)
Show SMILES CN1CCN(CC1)c1c(Cl)cccc1CN1CC2(CC1(C)C)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H35ClF6N4O2/c1-23(2)16-24(7-9-36(10-8-24)22(38)39-21(25(28,29)30)26(31,32)33)17-37(23)15-18-5-4-6-19(27)20(18)35-13-11-34(3)12-14-35/h4-6,21H,7-17H2,1-3H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280645
PNG
(US10030020, Example 190 | US10781211, Example 190)
Show SMILES CC1(C)CC2(CN1Cc1cccc(OC(F)(F)F)c1N1CCOCC1)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H32F9N3O4/c1-22(2)15-23(6-8-37(9-7-23)21(39)41-20(24(27,28)29)25(30,31)32)16-38(22)14-17-4-3-5-18(42-26(33,34)35)19(17)36-10-12-40-13-11-36/h3-5,20H,6-16H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280647
PNG
(US10030020, Example 192 | US10781211, Example 192)
Show SMILES CC1(C)CC2(CN1Cc1cc(CN3CCOCC3)ccc1OC(F)(F)F)CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H34F9N3O4/c1-23(2)16-24(5-7-38(8-6-24)22(40)42-21(25(28,29)30)26(31,32)33)17-39(23)15-19-13-18(14-37-9-11-41-12-10-37)3-4-20(19)43-27(34,35)36/h3-4,13,21H,5-12,14-17H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280648
PNG
(US10030020, Example 193 | US10781211, Example 193)
Show SMILES CS(=O)(=O)C1CCN(C1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H30F9N3O4S/c1-42(39,40)18-5-10-36(15-18)19-13-17(23(26,27)28)4-3-16(19)14-37-9-2-6-22(37)7-11-35(12-8-22)21(38)41-20(24(29,30)31)25(32,33)34/h3-4,13,18,20H,2,5-12,14-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280649
PNG
(US10030020, Example 194 | US10781211, Example 194)
Show SMILES OC(=O)C1CCN(Cc2cc(Cl)cc(CN3CCCC33CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)CC1
Show InChI InChI=1S/C26H32ClF6N3O4/c27-20-13-17(15-34-8-2-19(3-9-34)21(37)38)12-18(14-20)16-36-7-1-4-24(36)5-10-35(11-6-24)23(39)40-22(25(28,29)30)26(31,32)33/h12-14,19,22H,1-11,15-16H2,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280650
PNG
(US10030020, Example 195)
Show SMILES CC1(CN(CCO1)c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H30F9N3O5/c1-22(20(39)40)15-37(9-10-42-22)18-12-16(11-17(13-18)24(27,28)29)14-38-6-2-3-23(38)4-7-36(8-5-23)21(41)43-19(25(30,31)32)26(33,34)35/h11-13,19H,2-10,14-15H2,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280651
PNG
(US10030020, Example 196 | US10781211, Example 196)
Show SMILES OC(=O)[C@@H]1CCCCN1c1cc(CN2CCCC22CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C26H30F9N3O4/c27-24(28,29)17-12-16(13-18(14-17)38-9-2-1-4-19(38)20(39)40)15-37-8-3-5-23(37)6-10-36(11-7-23)22(41)42-21(25(30,31)32)26(33,34)35/h12-14,19,21H,1-11,15H2,(H,39,40)/t19-/m0/s1
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ABIDE THERAPEUTICS, INC.

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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280652
PNG
(US10030020, Example 197)
Show SMILES OC(=O)C1CN(CCO1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F9N3O5/c26-23(27,28)16-3-2-15(17(12-16)36-10-11-41-18(14-36)19(38)39)13-37-7-1-4-22(37)5-8-35(9-6-22)21(40)42-20(24(29,30)31)25(32,33)34/h2-3,12,18,20H,1,4-11,13-14H2,(H,38,39)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM280653
PNG
(US10030020, Example 198 | US10781211, Example 198)
Show SMILES OC(=O)C1CCN(CC1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C#C
Show InChI InChI=1S/C27H31F6N3O4/c1-2-18-4-5-20(21(16-18)34-12-6-19(7-13-34)22(37)38)17-36-11-3-8-25(36)9-14-35(15-10-25)24(39)40-23(26(28,29)30)27(31,32)33/h1,4-5,16,19,23H,3,6-15,17H2,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2FX7CGF
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Mus musculus (mouse))
BDBM280654
PNG
(US10030020, Example 199 | US10781211, Example 199)
Show SMILES OC(=O)C1CCN(C1)c1cc(ccc1CN1CCCC11CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H28F9N3O4/c26-23(27,28)17-3-2-15(18(12-17)36-9-4-16(13-36)19(38)39)14-37-8-1-5-22(37)6-10-35(11-7-22)21(40)41-20(24(29,30)31)25(32,33)34/h2-3,12,16,20H,1,4-11,13-14H2,(H,38,39)
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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)


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