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Patent code US10662159

Compile Data Set for Download or QSAR

Found 204 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444438
PNG
(US10662159, Example 23)
Show SMILES COc1ccc2CN(CCc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H13F6NO3/c1-23-10-3-2-9-7-21(5-4-8(9)6-10)12(22)24-11(13(15,16)17)14(18,19)20/h2-3,6,11H,4-5,7H2,1H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (Human))		BDBM444474
PNG
(US10662159, Example 67 | US10662159, Example 68)
Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2
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Assay Description
Rat/homo FAAH:Procedure was followed as described for hMGL, except that arachidonoyl-methyl coumarin (was used as fluorigenic substrate. Compounds we...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444469
PNG
(US10662159, Example 59)
Show SMILES Fc1cccc(OC2CCC3(CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C17H16F7NO3/c18-10-2-1-3-11(6-10)27-12-4-5-15(7-12)8-25(9-15)14(26)28-13(16(19,20)21)17(22,23)24/h1-3,6,12-13H,4-5,7-9H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (Human))		BDBM444469
PNG
(US10662159, Example 59)
Show SMILES Fc1cccc(OC2CCC3(CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C17H16F7NO3/c18-10-2-1-3-11(6-10)27-12-4-5-15(7-12)8-25(9-15)14(26)28-13(16(19,20)21)17(22,23)24/h1-3,6,12-13H,4-5,7-9H2
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Assay Description
Rat/homo FAAH:Procedure was followed as described for hMGL, except that arachidonoyl-methyl coumarin (was used as fluorigenic substrate. Compounds we...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444471
PNG
(US10662159, Example 61)
Show SMILES Fc1cncc(OC2CCC3(CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C16H15F7N2O3/c17-9-3-11(6-24-5-9)27-10-1-2-14(4-10)7-25(8-14)13(26)28-12(15(18,19)20)16(21,22)23/h3,5-6,10,12H,1-2,4,7-8H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444416
PNG
(US10662159, Example 1)
Show SMILES FC(F)(F)C(OC(=O)N1CCc2ccccc2C1)C(F)(F)F
Show InChI InChI=1S/C13H11F6NO2/c14-12(15,16)10(13(17,18)19)22-11(21)20-6-5-8-3-1-2-4-9(8)7-20/h1-4,10H,5-7H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444457
PNG
(US10662159, Example 45)
Show SMILES FC(F)COc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H11F8NO3/c15-10(16)6-25-9-2-1-7-4-23(5-8(7)3-9)12(24)26-11(13(17,18)19)14(20,21)22/h1-3,10-11H,4-6H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444457
PNG
(US10662159, Example 45)
Show SMILES FC(F)COc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H11F8NO3/c15-10(16)6-25-9-2-1-7-4-23(5-8(7)3-9)12(24)26-11(13(17,18)19)14(20,21)22/h1-3,10-11H,4-6H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444464
PNG
(US10662159, Example 53)
Show SMILES Fc1cccc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C16H14F7NO3/c17-9-2-1-3-10(4-9)26-11-5-14(6-11)7-24(8-14)13(25)27-12(15(18,19)20)16(21,22)23/h1-4,11-12H,5-8H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444467
PNG
(US10662159, Example 56)
Show SMILES FC(F)(F)Oc1cccc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C17H14F9NO4/c18-15(19,20)12(16(21,22)23)30-13(28)27-7-14(8-27)5-11(6-14)29-9-2-1-3-10(4-9)31-17(24,25)26/h1-4,11-12H,5-8H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444474
PNG
(US10662159, Example 67 | US10662159, Example 68)
Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Homo sapiens (Human))		BDBM444474
PNG
(US10662159, Example 67 | US10662159, Example 68)
Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2
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Assay Description
Rat/homo FAAH:Procedure was followed as described for hMGL, except that arachidonoyl-methyl coumarin (was used as fluorigenic substrate. Compounds we...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444419
PNG
(US10662159, Example 4)
Show SMILES FC(F)(F)C(OC(=O)N1CCc2cccc(Br)c2C1)C(F)(F)F
Show InChI InChI=1S/C13H10BrF6NO2/c14-9-3-1-2-7-4-5-21(6-8(7)9)11(22)23-10(12(15,16)17)13(18,19)20/h1-3,10H,4-6H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444424
PNG
(US10662159, Example 9)
Show SMILES Oc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6NO3/c13-11(14,15)9(12(16,17)18)22-10(21)19-4-6-1-2-8(20)3-7(6)5-19/h1-3,9,20H,4-5H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444431
PNG
(US10662159, Example 16)
Show SMILES FC(F)(F)C(OC(=O)N1CCc2c(Br)cccc2C1)C(F)(F)F
Show InChI InChI=1S/C13H10BrF6NO2/c14-9-3-1-2-7-6-21(5-4-8(7)9)11(22)23-10(12(15,16)17)13(18,19)20/h1-3,10H,4-6H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444446
PNG
(US10662159, Example 31)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(cc2C1)N1CCS(=O)(=O)CC1)C(F)(F)F
Show InChI InChI=1S/C16H16F6N2O4S/c17-15(18,19)13(16(20,21)22)28-14(25)24-8-10-1-2-12(7-11(10)9-24)23-3-5-29(26,27)6-4-23/h1-2,7,13H,3-6,8-9H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444453
PNG
(US10662159, Example 41)
Show SMILES FCCCOc1cccc2CN(CCc12)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H16F7NO3/c17-6-2-8-26-12-4-1-3-10-9-24(7-5-11(10)12)14(25)27-13(15(18,19)20)16(21,22)23/h1,3-4,13H,2,5-9H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444454
PNG
(US10662159, Example 42)
Show SMILES FCCCOc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H14F7NO3/c16-4-1-5-25-11-3-2-9-7-23(8-10(9)6-11)13(24)26-12(14(17,18)19)15(20,21)22/h2-3,6,12H,1,4-5,7-8H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444458
PNG
(US10662159, Example 46)
Show SMILES CN(C)CCOc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O3/c1-23(2)5-6-26-12-4-3-10-8-24(9-11(10)7-12)14(25)27-13(15(17,18)19)16(20,21)22/h3-4,7,13H,5-6,8-9H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444462
PNG
(US10662159, Example 50)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCC(=O)N3CCOCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C18H18F6N2O5/c19-17(20,21)15(18(22,23)24)31-16(28)26-8-11-1-2-13(7-12(11)9-26)30-10-14(27)25-3-5-29-6-4-25/h1-2,7,15H,3-6,8-10H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444459
PNG
(US10662159, Example 47)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(NCCN3CCOCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C18H21F6N3O3/c19-17(20,21)15(18(22,23)24)30-16(28)27-10-12-1-2-14(9-13(12)11-27)25-3-4-26-5-7-29-8-6-26/h1-2,9,15,25H,3-8,10-11H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444460
PNG
(US10662159, Example 48)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCCN3CCCCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O3/c20-18(21,22)16(19(23,24)25)30-17(28)27-11-13-4-5-15(10-14(13)12-27)29-9-8-26-6-2-1-3-7-26/h4-5,10,16H,1-3,6-9,11-12H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444462
PNG
(US10662159, Example 50)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCC(=O)N3CCOCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C18H18F6N2O5/c19-17(20,21)15(18(22,23)24)31-16(28)26-8-11-1-2-13(7-12(11)9-26)30-10-14(27)25-3-5-29-6-4-25/h1-2,7,15H,3-6,8-10H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444463
PNG
(US10662159, Example 52)
Show SMILES FC(F)(F)C(OC(=O)N1CC2(CC(C2)Oc2cccc(c2)C(F)(F)F)C1)C(F)(F)F
Show InChI InChI=1S/C17H14F9NO3/c18-15(19,20)9-2-1-3-10(4-9)29-11-5-14(6-11)7-27(8-14)13(28)30-12(16(21,22)23)17(24,25)26/h1-4,11-12H,5-8H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444464
PNG
(US10662159, Example 53)
Show SMILES Fc1cccc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C16H14F7NO3/c17-9-2-1-3-10(4-9)26-11-5-14(6-11)7-24(8-14)13(25)27-12(15(18,19)20)16(21,22)23/h1-4,11-12H,5-8H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444466
PNG
(US10662159, Example 55)
Show SMILES FC(F)(F)C(OC(=O)N1CC2(CC(C2)Oc2cccc(Oc3ccccc3)c2)C1)C(F)(F)F
Show InChI InChI=1S/C22H19F6NO4/c23-21(24,25)18(22(26,27)28)33-19(30)29-12-20(13-29)10-17(11-20)32-16-8-4-7-15(9-16)31-14-5-2-1-3-6-14/h1-9,17-18H,10-13H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444470
PNG
(US10662159, Example 60)
Show SMILES Fc1cncc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C15H13F7N2O3/c16-8-1-9(5-23-4-8)26-10-2-13(3-10)6-24(7-13)12(25)27-11(14(17,18)19)15(20,21)22/h1,4-5,10-11H,2-3,6-7H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444472
PNG
(US10662159, Example 63)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(CC(C3)Oc3cccc(c3)C(F)(F)F)C1)C2=O
Show InChI InChI=1S/C21H21F3N2O5/c1-19(2)14-15(19)17(28)26(16(14)27)31-18(29)25-9-20(10-25)7-13(8-20)30-12-5-3-4-11(6-12)21(22,23)24/h3-6,13-15H,7-10H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444432
PNG
(US10662159, Example 17)
Show SMILES FC(F)(F)C(OC(=O)N1CCc2cc(Br)ccc2C1)C(F)(F)F
Show InChI InChI=1S/C13H10BrF6NO2/c14-9-2-1-8-6-21(4-3-7(8)5-9)11(22)23-10(12(15,16)17)13(18,19)20/h1-2,5,10H,3-4,6H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444434
PNG
(US10662159, Example 19)
Show SMILES COc1cccc2CN(Cc12)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H11F6NO3/c1-22-9-4-2-3-7-5-20(6-8(7)9)11(21)23-10(12(14,15)16)13(17,18)19/h2-4,10H,5-6H2,1H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444447
PNG
(US10662159, Example 32)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(cc2C1)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C16H16F6N2O3/c17-15(18,19)13(16(20,21)22)27-14(25)24-8-10-1-2-12(7-11(10)9-24)23-3-5-26-6-4-23/h1-2,7,13H,3-6,8-9H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444451
PNG
(US10662159, Example 39)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1Cc3ccc(cc3C1)N1CCOCC1)C2=O
Show InChI InChI=1S/C20H23N3O5/c1-20(2)15-16(20)18(25)23(17(15)24)28-19(26)22-10-12-3-4-14(9-13(12)11-22)21-5-7-27-8-6-21/h3-4,9,15-16H,5-8,10-11H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444452
PNG
(US10662159, Example 40)
Show SMILES OC[C@@H](OC(=O)N1CCc2c(Br)cccc2C1)C(F)(F)F
Show InChI InChI=1S/C13H13BrF3NO3/c14-10-3-1-2-8-6-18(5-4-9(8)10)12(20)21-11(7-19)13(15,16)17/h1-3,11,19H,4-7H2/t11-/m1/s1
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444458
PNG
(US10662159, Example 46)
Show SMILES CN(C)CCOc1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O3/c1-23(2)5-6-26-12-4-3-10-8-24(9-11(10)7-12)14(25)27-13(15(17,18)19)16(20,21)22/h3-4,7,13H,5-6,8-9H2,1-2H3
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444469
PNG
(US10662159, Example 59)
Show SMILES Fc1cccc(OC2CCC3(CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)C2)c1
Show InChI InChI=1S/C17H16F7NO3/c18-10-2-1-3-11(6-10)27-12-4-5-15(7-12)8-25(9-15)14(26)28-13(16(19,20)21)17(22,23)24/h1-3,6,12-13H,4-5,7-9H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444473
PNG
(US10662159, Example 64)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CC3(C1)CCC(C3)Oc1cncc(F)c1)C2=O
Show InChI InChI=1S/C20H22FN3O5/c1-19(2)14-15(19)17(26)24(16(14)25)29-18(27)23-9-20(10-23)4-3-12(6-20)28-13-5-11(21)7-22-8-13/h5,7-8,12,14-15H,3-4,6,9-10H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444423
PNG
(US10662159, Example 8)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(Br)cc2C1)C(F)(F)F
Show InChI InChI=1S/C12H8BrF6NO2/c13-8-2-1-6-4-20(5-7(6)3-8)10(21)22-9(11(14,15)16)12(17,18)19/h1-3,9H,4-5H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444440
PNG
(US10662159, Example 25)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(cc2C1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C18H13F6NO2/c19-17(20,21)15(18(22,23)24)27-16(26)25-9-13-7-6-12(8-14(13)10-25)11-4-2-1-3-5-11/h1-8,15H,9-10H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444441
PNG
(US10662159, Example 26)
Show SMILES COc1ccc(cc1F)-c1ccc2CN(Cc2c1)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H14F7NO3/c1-29-15-5-4-11(7-14(15)20)10-2-3-12-8-27(9-13(12)6-10)17(28)30-16(18(21,22)23)19(24,25)26/h2-7,16H,8-9H2,1H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444455
PNG
(US10662159, Example 43)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCC3CC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C16H15F6NO3/c17-15(18,19)13(16(20,21)22)26-14(24)23-6-10-3-4-12(5-11(10)7-23)25-8-9-1-2-9/h3-5,9,13H,1-2,6-8H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444461
PNG
(US10662159, Example 49)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCCN3CCCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O3/c19-17(20,21)15(18(22,23)24)29-16(27)26-10-12-3-4-14(9-13(12)11-26)28-8-7-25-5-1-2-6-25/h3-4,9,15H,1-2,5-8,10-11H2
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444465
PNG
(US10662159, Example 54)
Show SMILES COc1cccc(OC2CC3(C2)CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C17H17F6NO4/c1-26-10-3-2-4-11(5-10)27-12-6-15(7-12)8-24(9-15)14(25)28-13(16(18,19)20)17(21,22)23/h2-5,12-13H,6-9H2,1H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444474
PNG
(US10662159, Example 67 | US10662159, Example 68)
Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2
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Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444436
PNG
(US10662159, Example 21)
Show SMILES COc1cc2CN(Cc2cc1OC)C(=O)OC(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H13F6NO4/c1-23-9-3-7-5-21(6-8(7)4-10(9)24-2)12(22)25-11(13(15,16)17)14(18,19)20/h3-4,11H,5-6H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444448
PNG
(US10662159, Example 35)
Show SMILES CC1(C)C2C1C(=O)N(OC(=O)N1CCc3c(Br)cccc3C1)C2=O
Show InChI InChI=1S/C17H17BrN2O4/c1-17(2)12-13(17)15(22)20(14(12)21)24-16(23)19-7-6-10-9(8-19)4-3-5-11(10)18/h3-5,12-13H,6-8H2,1-2H3
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Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444460
PNG
(US10662159, Example 48)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCCN3CCCCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C19H22F6N2O3/c20-18(21,22)16(19(23,24)25)30-17(28)27-11-13-4-5-15(10-14(13)12-27)29-9-8-26-6-2-1-3-7-26/h4-5,10,16H,1-3,6-9,11-12H2
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n/an/a 55n/an/an/an/an/an/a



MAKSCIENTIFIC, LLC

US Patent


Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444461
PNG
(US10662159, Example 49)
Show SMILES FC(F)(F)C(OC(=O)N1Cc2ccc(OCCN3CCCC3)cc2C1)C(F)(F)F
Show InChI InChI=1S/C18H20F6N2O3/c19-17(20,21)15(18(22,23)24)29-16(27)26-10-12-3-4-14(9-13(12)11-26)28-8-7-25-5-1-2-6-25/h3-4,9,15H,1-2,5-8,10-11H2
PDB
MMDB

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MAKSCIENTIFIC, LLC

US Patent


Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444463
PNG
(US10662159, Example 52)
Show SMILES FC(F)(F)C(OC(=O)N1CC2(CC(C2)Oc2cccc(c2)C(F)(F)F)C1)C(F)(F)F
Show InChI InChI=1S/C17H14F9NO3/c18-15(19,20)9-2-1-3-10(4-9)29-11-5-14(6-11)7-27(8-14)13(28)30-12(16(21,22)23)17(24,25)26/h1-4,11-12H,5-8H2
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MAKSCIENTIFIC, LLC

US Patent


Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))		BDBM444476
PNG
(US10662159, Example 57)
Show SMILES Fc1cccc(OC2C[C@@]3(C2)CCN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C17H16F7NO3/c18-10-2-1-3-11(6-10)27-12-7-15(8-12)4-5-25(9-15)14(26)28-13(16(19,20)21)17(22,23)24/h1-3,6,12-13H,4-5,7-9H2/t12?,15-
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MAKSCIENTIFIC, LLC

US Patent


Assay Description
ABHD6: Certain compounds were tested for their ABHD6 and dual ABHD6/MGL inhibitory activity, which is expressed as % of inhibition or IC50 values. Th...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM444474
PNG
(US10662159, Example 67 | US10662159, Example 68)
Show SMILES Fc1ccc(cc1)C(OC1CC2(C1)CCN(C2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C24H21F8NO3/c25-16-5-1-14(2-6-16)19(15-3-7-17(26)8-4-15)35-18-11-22(12-18)9-10-33(13-22)21(34)36-20(23(27,28)29)24(30,31)32/h1-8,18-20H,9-13H2
PDB
MMDB

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MAKSCIENTIFIC, LLC

US Patent


Assay Description
MGL: Compound inhibition of hMGL activity was assessed by a fluorometric assay recently developed in our laboratory (Makriyannis et al WO Patent Appl...

US Patent US10662159 (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%