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PubMed code 22834902

Compile data set for download or QSAR
Found 30 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
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398032
PNG
(CHEMBL1603014)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)
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n/an/a 750n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398032
PNG
(CHEMBL1603014)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)
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n/an/a 940n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398022
PNG
(CHEMBL2181097)
Show SMILES OC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H19N3O5S/c23-18-12-14-11-16(5-6-17(14)20-18)28(26,27)22-9-7-21(8-10-22)15-3-1-13(2-4-15)19(24)25/h1-6,11H,7-10,12H2,(H,20,23)(H,24,25)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398022
PNG
(CHEMBL2181097)
Show SMILES OC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H19N3O5S/c23-18-12-14-11-16(5-6-17(14)20-18)28(26,27)22-9-7-21(8-10-22)15-3-1-13(2-4-15)19(24)25/h1-6,11H,7-10,12H2,(H,20,23)(H,24,25)
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n/an/a 1.46E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398020
PNG
(CHEMBL2181103)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1S/C20H20ClN3O4S/c1-13(25)14-2-4-16(5-3-14)23-6-8-24(9-7-23)29(27,28)19-10-15-11-20(26)22-18(15)12-17(19)21/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)
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n/an/a 1.63E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398020
PNG
(CHEMBL2181103)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1S/C20H20ClN3O4S/c1-13(25)14-2-4-16(5-3-14)23-6-8-24(9-7-23)29(27,28)19-10-15-11-20(26)22-18(15)12-17(19)21/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)
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n/an/a 1.63E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398029
PNG
(CHEMBL2180814)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7-9-21(10-8-20)26(24,25)16-5-6-17-13(11-16)12-18(23)19-17/h1-6,11,22H,7-10,12H2,(H,19,23)
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n/an/a 1.88E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398029
PNG
(CHEMBL2180814)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7-9-21(10-8-20)26(24,25)16-5-6-17-13(11-16)12-18(23)19-17/h1-6,11,22H,7-10,12H2,(H,19,23)
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n/an/a 2.37E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398028
PNG
(CHEMBL2180816)
Show SMILES O=C1Cc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N4O3S/c20-13-14-1-3-16(4-2-14)22-7-9-23(10-8-22)27(25,26)17-5-6-18-15(11-17)12-19(24)21-18/h1-6,11H,7-10,12H2,(H,21,24)
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n/an/a 2.91E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398028
PNG
(CHEMBL2180816)
Show SMILES O=C1Cc2cc(ccc2N1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N4O3S/c20-13-14-1-3-16(4-2-14)22-7-9-23(10-8-22)27(25,26)17-5-6-18-15(11-17)12-19(24)21-18/h1-6,11H,7-10,12H2,(H,21,24)
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n/an/a 3.26E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398027
PNG
(CHEMBL2181089)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H18N4O5S/c23-18-12-13-11-16(5-6-17(13)19-18)28(26,27)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12H2,(H,19,23)
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n/an/a 3.26E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398027
PNG
(CHEMBL2181089)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H18N4O5S/c23-18-12-13-11-16(5-6-17(13)19-18)28(26,27)21-9-7-20(8-10-21)14-1-3-15(4-2-14)22(24)25/h1-6,11H,7-10,12H2,(H,19,23)
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n/an/a 3.66E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398024
PNG
(CHEMBL2181095)
Show SMILES O=Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H19N3O4S/c23-13-14-1-3-16(4-2-14)21-7-9-22(10-8-21)27(25,26)17-5-6-18-15(11-17)12-19(24)20-18/h1-6,11,13H,7-10,12H2,(H,20,24)
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n/an/a 3.66E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398024
PNG
(CHEMBL2181095)
Show SMILES O=Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H19N3O4S/c23-13-14-1-3-16(4-2-14)21-7-9-22(10-8-21)27(25,26)17-5-6-18-15(11-17)12-19(24)20-18/h1-6,11,13H,7-10,12H2,(H,20,24)
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n/an/a 4.11E+3n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398031
PNG
(CHEMBL1708234)
Show SMILES CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C14H17N3O4S/c1-10(18)16-4-6-17(7-5-16)22(20,21)12-2-3-13-11(8-12)9-14(19)15-13/h2-3,8H,4-7,9H2,1H3,(H,15,19)
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n/an/a 1.19E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398021
PNG
(CHEMBL2181098)
Show SMILES OCc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H21N3O4S/c23-13-14-1-3-16(4-2-14)21-7-9-22(10-8-21)27(25,26)17-5-6-18-15(11-17)12-19(24)20-18/h1-6,11,23H,7-10,12-13H2,(H,20,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398021
PNG
(CHEMBL2181098)
Show SMILES OCc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H21N3O4S/c23-13-14-1-3-16(4-2-14)21-7-9-22(10-8-21)27(25,26)17-5-6-18-15(11-17)12-19(24)20-18/h1-6,11,23H,7-10,12-13H2,(H,20,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398025
PNG
(CHEMBL2181094)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H18F3N3O3S/c20-19(21,22)14-2-1-3-15(12-14)24-6-8-25(9-7-24)29(27,28)16-4-5-17-13(10-16)11-18(26)23-17/h1-5,10,12H,6-9,11H2,(H,23,26)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398025
PNG
(CHEMBL2181094)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H18F3N3O3S/c20-19(21,22)14-2-1-3-15(12-14)24-6-8-25(9-7-24)29(27,28)16-4-5-17-13(10-16)11-18(26)23-17/h1-5,10,12H,6-9,11H2,(H,23,26)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398031
PNG
(CHEMBL1708234)
Show SMILES CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C14H17N3O4S/c1-10(18)16-4-6-17(7-5-16)22(20,21)12-2-3-13-11(8-12)9-14(19)15-13/h2-3,8H,4-7,9H2,1H3,(H,15,19)
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n/an/a 1.49E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398030
PNG
(CHEMBL2180813)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H21N3O4S/c1-26-16-4-2-15(3-5-16)21-8-10-22(11-9-21)27(24,25)17-6-7-18-14(12-17)13-19(23)20-18/h2-7,12H,8-11,13H2,1H3,(H,20,23)
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n/an/a 1.88E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398030
PNG
(CHEMBL2180813)
Show SMILES COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C19H21N3O4S/c1-26-16-4-2-15(3-5-16)21-8-10-22(11-9-21)27(24,25)17-6-7-18-14(12-17)13-19(23)20-18/h2-7,12H,8-11,13H2,1H3,(H,20,23)
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n/an/a 2.37E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398023
PNG
(CHEMBL2181096)
Show SMILES COC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C20H21N3O5S/c1-28-20(25)14-2-4-16(5-3-14)22-8-10-23(11-9-22)29(26,27)17-6-7-18-15(12-17)13-19(24)21-18/h2-7,12H,8-11,13H2,1H3,(H,21,24)
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n/an/a 2.59E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398019
PNG
(CHEMBL1892795)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(Cl)(Cl)c2c1
Show InChI InChI=1S/C20H19Cl2N3O4S/c1-13(26)14-2-4-15(5-3-14)24-8-10-25(11-9-24)30(28,29)16-6-7-18-17(12-16)20(21,22)19(27)23-18/h2-7,12H,8-11H2,1H3,(H,23,27)
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n/an/a 3.26E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398023
PNG
(CHEMBL2181096)
Show SMILES COC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C20H21N3O5S/c1-28-20(25)14-2-4-16(5-3-14)22-8-10-23(11-9-22)29(26,27)17-6-7-18-15(12-17)13-19(24)21-18/h2-7,12H,8-11,13H2,1H3,(H,21,24)
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n/an/a 3.66E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398019
PNG
(CHEMBL1892795)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)C(Cl)(Cl)c2c1
Show InChI InChI=1S/C20H19Cl2N3O4S/c1-13(26)14-2-4-15(5-3-14)24-8-10-25(11-9-24)30(28,29)16-6-7-18-17(12-16)20(21,22)19(27)23-18/h2-7,12H,8-11H2,1H3,(H,23,27)
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n/an/a 4.11E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398026
PNG
(CHEMBL2181091)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H18ClN3O3S/c19-14-1-3-15(4-2-14)21-7-9-22(10-8-21)26(24,25)16-5-6-17-13(11-16)12-18(23)20-17/h1-6,11H,7-10,12H2,(H,20,23)
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n/an/a 9.43E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using red-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398026
PNG
(CHEMBL2181091)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C18H18ClN3O3S/c19-14-1-3-15(4-2-14)21-7-9-22(10-8-21)26(24,25)16-5-6-17-13(11-16)12-18(23)20-17/h1-6,11H,7-10,12H2,(H,20,23)
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n/an/a 9.43E+4n/an/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant GAA preincubated for 5 mins measured after 45 mins using blue-shifted dye by fluorescence assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398032
PNG
(CHEMBL1603014)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)Cc2c1
Show InChI InChI=1S/C20H21N3O4S/c1-14(24)15-2-4-17(5-3-15)22-8-10-23(11-9-22)28(26,27)18-6-7-19-16(12-18)13-20(25)21-19/h2-7,12H,8-11,13H2,1H3,(H,21,25)
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n/an/an/a 2.00E+4n/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity at wild type recombinant NT-495 labelled GAA incubated for 15 mins by microscale thermophoresis assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))		BDBM50398020
PNG
(CHEMBL2181103)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2CC(=O)Nc2cc1Cl
Show InChI InChI=1S/C20H20ClN3O4S/c1-13(25)14-2-4-16(5-3-14)23-6-8-24(9-7-23)29(27,28)19-10-15-11-20(26)22-18(15)12-17(19)21/h2-5,10,12H,6-9,11H2,1H3,(H,22,26)
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n/an/an/a 2.00E+4n/an/an/an/an/a



National Center for Advancing Translational Sciences

Curated by ChEMBL


Assay Description
Binding affinity at wild type recombinant NT-495 labelled GAA incubated for 15 mins by microscale thermophoresis assay

J Med Chem 55: 7546-59 (2012)


Article DOI: 10.1021/jm3005543
BindingDB Entry DOI: 10.7270/Q27945SS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%