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Patent code US9402837

Compile Data Set for Download or QSAR
Found 20 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238210
PNG
(US9402837, 16)
Show SMILES OC[C@H]1CN(CC2CCNCC2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H24N2O3/c15-8-10-6-14(7-11(16)12(10)17)5-9-1-3-13-4-2-9/h9-13,15-17H,1-8H2/t10-,11-,12-/m1/s1
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US Patent
440n/a 1.07E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238214
PNG
(US9402837, 24)
Show SMILES CC(C)CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C12H25NO3/c1-9(2)4-3-5-13-6-10(8-14)12(16)11(15)7-13/h9-12,14-16H,3-8H2,1-2H3/t10-,11-,12-/m1/s1
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US Patent
880n/a 2.13E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238200
PNG
(US9402837, 4)
Show SMILES CC(C)=CCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C11H21NO3/c1-8(2)3-4-12-5-9(7-13)11(15)10(14)6-12/h3,9-11,13-15H,4-7H2,1-2H3/t9-,10-,11-/m1/s1
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1.66E+3n/a 4.00E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238201
PNG
(US9402837, 5)
Show SMILES COCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C9H19NO4/c1-14-3-2-10-4-7(6-11)9(13)8(12)5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
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2.48E+3n/a 5.99E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238208
PNG
(US9402837, 13)
Show SMILES OC[C@H]1CN(CCc2ccccc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C14H21NO3/c16-10-12-8-15(9-13(17)14(12)18)7-6-11-4-2-1-3-5-11/h1-5,12-14,16-18H,6-10H2/t12-,13-,14-/m1/s1
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3.11E+3n/a 7.50E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238207
PNG
(US9402837, 12)
Show SMILES Nc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1
Show InChI InChI=1S/C13H20N2O3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8,14H2/t10-,12-,13-/m1/s1
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3.88E+3n/a 9.36E+3n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238204
PNG
(US9402837, 8)
Show SMILES Cc1cccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)c1
Show InChI InChI=1S/C14H21NO3/c1-10-3-2-4-11(5-10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1
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5.26E+3n/a 1.27E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238213
PNG
(US9402837, 23)
Show SMILES OC[C@H]1CN(CC2CCCC2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H23NO3/c14-8-10-6-13(7-11(15)12(10)16)5-9-3-1-2-4-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1
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6.48E+3n/a 1.56E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238212
PNG
(US9402837, 19)
Show SMILES OC[C@H]1CN(Cc2ccncc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H18N2O3/c15-8-10-6-14(7-11(16)12(10)17)5-9-1-3-13-4-2-9/h1-4,10-12,15-17H,5-8H2/t10-,11-,12-/m1/s1
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8.02E+3n/a 1.94E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238216
PNG
(US9402837, 18)
Show SMILES OC[C@H]1CN(Cc2cccs2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H17NO3S/c13-7-8-4-12(6-10(14)11(8)15)5-9-2-1-3-16-9/h1-3,8,10-11,13-15H,4-7H2/t8-,10-,11-/m1/s1
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1.14E+4n/a 2.76E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238197
PNG
(US9402837, 1)
Show SMILES CCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C9H19NO3/c1-2-3-10-4-7(6-11)9(13)8(12)5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
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1.48E+4n/a 3.58E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238199
PNG
(US9402837, 3)
Show SMILES CCCCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-14-8-11(10-15)13(17)12(16)9-14/h11-13,15-17H,2-10H2,1H3/t11-,12-,13-/m1/s1
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1.73E+4n/a 4.17E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238215
PNG
(US9402837, 25)
Show SMILES OC[C@H]1CN(Cc2ccc(cc2)[N+]([O-])=O)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18N2O5/c16-8-10-6-14(7-12(17)13(10)18)5-9-1-3-11(4-2-9)15(19)20/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1
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1.86E+4n/a 4.50E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238209
PNG
(US9402837, 15)
Show SMILES OC[C@H]1CN(CC2CCOCC2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C12H23NO4/c14-8-10-6-13(7-11(15)12(10)16)5-9-1-3-17-4-2-9/h9-12,14-16H,1-8H2/t10-,11-,12-/m1/s1
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2.04E+4n/a 4.92E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238203
PNG
(US9402837, 7)
Show SMILES Cc1ccccc1CN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C14H21NO3/c1-10-4-2-3-5-11(10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1
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2.88E+4n/a 6.95E+4n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238205
PNG
(US9402837, 9)
Show SMILES Cc1ccc(CN2C[C@@H](O)[C@H](O)[C@@H](CO)C2)cc1
Show InChI InChI=1S/C14H21NO3/c1-10-2-4-11(5-3-10)6-15-7-12(9-16)14(18)13(17)8-15/h2-5,12-14,16-18H,6-9H2,1H3/t12-,13-,14-/m1/s1
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5.37E+4n/a 1.30E+5n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238202
PNG
(US9402837, 6)
Show SMILES OC[C@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H19NO3/c15-9-11-7-14(8-12(16)13(11)17)6-10-4-2-1-3-5-10/h1-5,11-13,15-17H,6-9H2/t11-,12-,13-/m1/s1
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8.30E+4n/a 2.00E+5n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238206
PNG
(US9402837, 10)
Show SMILES OC[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H18FNO3/c14-11-3-1-9(2-4-11)5-15-6-10(8-16)13(18)12(17)7-15/h1-4,10,12-13,16-18H,5-8H2/t10-,12-,13-/m1/s1
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1.12E+5n/a 2.70E+5n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238211
PNG
(US9402837, 17)
Show SMILES OC[C@H]1CN(Cc2ccco2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C11H17NO4/c13-7-8-4-12(6-10(14)11(8)15)5-9-2-1-3-16-9/h1-3,8,10-11,13-15H,4-7H2/t8-,10-,11-/m1/s1
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1.16E+5n/a 2.80E+5n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


Citation and Details
More data for this
Ligand-Target Pair
Glucocerebrosidase (Acid beta-Glucosidase)


(Homo sapiens (human))
BDBM238198
PNG
(US9402837, 2)
Show SMILES CCCCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1
Show InChI InChI=1S/C11H23NO3/c1-2-3-4-5-12-6-9(8-13)11(15)10(14)7-12/h9-11,13-15H,2-8H2,1H3/t9-,10-,11-/m1/s1
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4.06E+5n/a 9.80E+5n/an/an/an/an/an/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
To 2.5 μl of supernatant (in 96-well plates) was added 17.5 μl reaction buffer (citrate phosphate buffer, pH 4.5, no Triton X-100), and 50 μ...


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