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Compile Data Set for Download or QSAR

Found 21 hits of ph data with Target = 'alpha-glucosidase (Gaa)'   
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
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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US Patent
n/an/an/an/a 9.88E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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n/an/an/an/a 7.45E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM50259956
PNG
(2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol | CHE...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
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n/an/an/an/a 2.81E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18364
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidi...)
Show SMILES CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
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n/an/an/an/a 7.00E+3n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 1.18E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190528
PNG
(US9181184, 11)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1
Show InChI InChI=1S/C10H19NO4/c12-5-7-9(14)10(15)8(13)4-11(7)3-6-1-2-6/h6-10,12-15H,1-5H2/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 4.77E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190529
PNG
(US9181184, 15)
Show SMILES CN(C)C(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C11H22N2O6/c1-12(2)11(18)19-4-3-13-5-8(15)10(17)9(16)7(13)6-14/h7-10,14-17H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 5.84E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190530
PNG
(US9181184, 16)
Show SMILES CC(C)(C)OC(=O)N1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1
Show InChI InChI=1S/C17H32N2O6/c1-17(2,3)25-16(24)18-6-4-11(5-7-18)8-19-9-13(21)15(23)14(22)12(19)10-20/h11-15,20-23H,4-10H2,1-3H3/t12-,13+,14-,15-/m1/s1
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n/an/an/an/a 6.97E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190531
PNG
(US9181184, 17 | US9181184, 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1
Show InChI InChI=1S/C11H21NO5/c13-6-8-10(15)11(16)9(14)5-12(8)4-7-2-1-3-17-7/h7-11,13-16H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
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n/an/an/an/a 6.53E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190531
PNG
(US9181184, 17 | US9181184, 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1
Show InChI InChI=1S/C11H21NO5/c13-6-8-10(15)11(16)9(14)5-12(8)4-7-2-1-3-17-7/h7-11,13-16H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
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n/an/an/an/a 1.04E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190533
PNG
(US9181184, 19)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCC(F)(F)F
Show InChI InChI=1S/C10H18F3NO5/c11-10(12,13)5-19-2-1-14-3-7(16)9(18)8(17)6(14)4-15/h6-9,15-18H,1-5H2/t6-,7+,8-,9-/m1/s1
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n/an/an/an/a 3.72E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190534
PNG
(US9181184, 20)
Show SMILES COCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO5/c1-15-3-2-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
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n/an/an/an/a 4.68E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190535
PNG
(US9181184, 21)
Show SMILES CCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO5/c1-2-16-4-3-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 2.10E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190536
PNG
(US9181184, 23)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H18F3NO4/c15-14(16,17)9-3-1-8(2-4-9)5-18-6-11(20)13(22)12(21)10(18)7-19/h1-4,10-13,19-22H,5-7H2/t10-,11+,12-,13-/m1/s1
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n/an/an/an/a 1.21E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190537
PNG
(US9181184, 24)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C([N+]#[C-])c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H17F3N2O4/c1-19-14(8-2-4-9(5-3-8)15(16,17)18)20-6-11(22)13(24)12(23)10(20)7-21/h2-5,10-14,21-24H,6-7H2/t10-,11+,12-,13-,14?/m1/s1
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n/an/an/an/a 7.71E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190538
PNG
(US9181184, 25)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3NO5/c15-14(16,17)23-9-3-1-8(2-4-9)5-18-6-11(20)13(22)12(21)10(18)7-19/h1-4,10-13,19-22H,5-7H2/t10-,11+,12-,13-/m1/s1
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n/an/an/an/a 6.65E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190539
PNG
(US9181184, 26)
Show SMILES CCCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C18H29NO5/c1-2-3-4-9-24-14-7-5-13(6-8-14)10-19-11-16(21)18(23)17(22)15(19)12-20/h5-8,15-18,20-23H,2-4,9-12H2,1H3/t15-,16+,17-,18-/m1/s1
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n/an/an/an/a 6.60E+3n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190540
PNG
(US9181184, 27)
Show SMILES CCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C17H27NO5/c1-2-3-8-23-13-6-4-12(5-7-13)9-18-10-15(20)17(22)16(21)14(18)11-19/h4-7,14-17,19-22H,2-3,8-11H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/an/an/a 1.73E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C26H26N6O11S/c27-10-1-5-12(6-2-10)44(42,43)13-7-3-11(4-8-13)32-21-16(23(38)30-25(40)28-21)15(17-22(32)29-26(41)31-24(17)39)19(36)20(37)18(35)14(34)9-33/h1-8,14-15,18-20,33-37H,9,27H2,(H2,28,30,38,40)(H2,29,31,39,41)
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2.50E+3n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 1.36E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C26H26N6O11S/c27-10-1-5-12(6-2-10)44(42,43)13-7-3-11(4-8-13)32-21-16(23(38)30-25(40)28-21)15(17-22(32)29-26(41)31-24(17)39)19(36)20(37)18(35)14(34)9-33/h1-8,14-15,18-20,33-37H,9,27H2,(H2,28,30,38,40)(H2,29,31,39,41)
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PC sid
UniChem
Article
PubMed
n/an/a 6.41E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
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Ligand-Target Pair