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Compile Data Set for Download or QSAR

Found 168 hits of ic50 data for polymerid = 50001107   
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))
BDBM50283602
PNG
(6a-Hydroxymethyl-2-phenylamino-4,5,6,6a-tetrahydro...)
Show SMILES OCC12OC(Nc3ccccc3)=NC1C(O)C(O)C2O |c:12|
Show InChI InChI=1S/C13H16N2O5/c16-6-13-10(8(17)9(18)11(13)19)15-12(20-13)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,15)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against baker's yeast Alpha-Glucosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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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n/an/a 60n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50263044
PNG
(CHEMBL476960 | Voglibose)
Show SMILES OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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/a 100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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/a 100n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.022
BindingDB Entry DOI: 10.7270/Q2736QZB
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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 |r|
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/a 100n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM628474
PNG
(US20230339856, Compound (IId))
Show SMILES OCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM628473
PNG
(US20230339856, Compound (IIc))
Show SMILES OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50478556
PNG
(CORTICATIC ACID A)
Show SMILES OC(\C=C\CCCCCC#CC\C=C/CCCCCCCCCCC\C=C/C#CC(O)=O)C#C
Show InChI InChI=1S/C31H44O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,25-23-,28-26+
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase


J Nat Prod 65: 922-4 (2002)


Article DOI: 10.1021/np0106642
BindingDB Entry DOI: 10.7270/Q20004T1
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 390n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50299749
PNG
((2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20-,21-,22?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.022
BindingDB Entry DOI: 10.7270/Q2736QZB
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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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n/an/a 410n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583378
PNG
(CHEMBL5028084 | US20230339856, Compound (IIa))
Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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n/an/a 420n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50124581
PNG
(CHEMBL3621529 | US20230339856, Compound (IIg))
Show SMILES OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
Show InChI InChI=1S/C9H17NO4/c11-5-9-2-1-3-10(9)4-6(12)7(13)8(9)14/h6-8,11-14H,1-5H2/t6-,7+,8-,9+/m0/s1
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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50312529
PNG
(CHEMBL1088158 | N-[5-(Adamantan-1-yl-methoxy)-pent...)
Show SMILES OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
Show InChI InChI=1S/C22H39NO5/c24-13-18-20(26)21(27)19(25)12-23(18)4-2-1-3-5-28-14-22-9-15-6-16(10-22)8-17(7-15)11-22/h15-21,24-27H,1-14H2/t15?,16?,17?,18-,19+,20+,21-,22?/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50478555
PNG
(Callyspongynic Acid)
Show SMILES O[C@@H](\C=C\CCCCCC#CC#CCCCC#CCCCC#CCCCCCC#CC(O)=O)C#C |r|
Show InChI InChI=1S/C32H38O3/c1-2-31(33)29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32(34)35/h1,27,29,31,33H,3,5,7-8,10,12,17-26H2,(H,34,35)/b29-27+/t31-/m1/s1
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n/an/a 531n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase


J Nat Prod 65: 922-4 (2002)


Article DOI: 10.1021/np0106642
BindingDB Entry DOI: 10.7270/Q20004T1
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50596693
PNG
(CHEMBL5189075)
Show SMILES OC[C@@]1(NC[C@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 630n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114230
BindingDB Entry DOI: 10.7270/Q24F1VSC
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 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))
BDBM628475
PNG
(US20230339856, Compound (IIf))
Show SMILES OC[C@@]12CCCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
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n/an/a 870n/an/an/an/an/an/a


TBA



Citation and Details
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))
BDBM50283602
PNG
(6a-Hydroxymethyl-2-phenylamino-4,5,6,6a-tetrahydro...)
Show SMILES OCC12OC(Nc3ccccc3)=NC1C(O)C(O)C2O |c:12|
Show InChI InChI=1S/C13H16N2O5/c16-6-13-10(8(17)9(18)11(13)19)15-12(20-13)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,15)
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n/an/a>999n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against baker's yeast Alpha-Glucosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50283602
PNG
(6a-Hydroxymethyl-2-phenylamino-4,5,6,6a-tetrahydro...)
Show SMILES OCC12OC(Nc3ccccc3)=NC1C(O)C(O)C2O |c:12|
Show InChI InChI=1S/C13H16N2O5/c16-6-13-10(8(17)9(18)11(13)19)15-12(20-13)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,15)
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n/an/a>999n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against baker's yeast Alpha-Glucosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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 |r|
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/a 1.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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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n/an/a 1.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha-glucosidase


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
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))
BDBM50283598
PNG
(5-Amino-1-hydroxymethyl-cyclopentane-1,2,3,4-tetra...)
Show SMILES NC1C(O)C(O)C(O)C1(O)CO
Show InChI InChI=1S/C6H13NO5/c7-4-2(9)3(10)5(11)6(4,12)1-8/h2-5,8-12H,1,7H2
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n/an/a 1.34E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against baker's yeast Alpha-galactosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
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))
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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n/an/a 1.50E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal alpha glucosidase


Bioorg Med Chem Lett 19: 6600-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.022
BindingDB Entry DOI: 10.7270/Q2736QZB
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
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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n/an/a 1.50E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50312528
PNG
(CHEMBL1086997 | N-Butyl-D-galacto-1-deoxynojirimyc...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
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/a 1.50E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
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))
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))
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))
BDBM50242271
PNG
((2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)...)
Show SMILES OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of lysosomal alpha-glucosidase by HPLC


J Med Chem 53: 689-98 (2010)


Article DOI: 10.1021/jm901281m
BindingDB Entry DOI: 10.7270/Q2M908TC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50104671
PNG
(CHEMBL3593568)
Show SMILES Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1
Show InChI InChI=1S/C13H12O4/c1-7-2-12(16)13(17)6-11(7)8-3-9(14)5-10(15)4-8/h2-6,14-17H,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin) pre-incubated for 20 mins before p-nitrophenyl glycoside substrate addition


J Nat Prod 78: 1816-22 (2015)


Article DOI: 10.1021/np500885f
BindingDB Entry DOI: 10.7270/Q2C82C20
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50283603
PNG
(4-Hydroxymethyl-2-phenylamino-4,5,6,6a-tetrahydro-...)
Show SMILES OCC1C(O)C(O)C2OC(Nc3ccccc3)=NC12 |c:17|
Show InChI InChI=1S/C13H16N2O4/c16-6-8-9-12(11(18)10(8)17)19-13(15-9)14-7-4-2-1-3-5-7/h1-5,8-12,16-18H,6H2,(H,14,15)
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n/an/a 2.32E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against baker's yeast Alpha-Glucosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
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))
BDBM50596691
PNG
(CHEMBL5198563)
Show SMILES CCCC[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
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n/an/a 2.40E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114230
BindingDB Entry DOI: 10.7270/Q24F1VSC
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))
BDBM50283604
PNG
(6-Hydroxymethyl-2-phenylamino-4,5,6,6a-tetrahydro-...)
Show SMILES OCC1(O)C(O)C(O)C2N=C(Nc3ccccc3)OC12 |t:9|
Show InChI InChI=1S/C13H16N2O5/c16-6-13(19)10(18)9(17)8-11(13)20-12(15-8)14-7-4-2-1-3-5-7/h1-5,8-11,16-19H,6H2,(H,14,15)
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n/an/a 2.93E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against baker's yeast Alpha-Glucosidase


Bioorg Med Chem Lett 4: 2643-2648 (1994)


Article DOI: 10.1016/S0960-894X(01)80688-0
BindingDB Entry DOI: 10.7270/Q21V5FFN
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))
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))
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))
BDBM50596692
PNG
(CHEMBL5192700)
Show SMILES CCCCCCCCC[C@@]1(CO)NC[C@H](O)[C@H]1O |r|
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114230
BindingDB Entry DOI: 10.7270/Q24F1VSC
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))
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
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)O[C@@H](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 |r,t:37|
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 5.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of maltase in human Caco-2 cell model system after 2 hrs


Bioorg Med Chem 16: 7330-6 (2008)


Article DOI: 10.1016/j.bmc.2008.06.026
BindingDB Entry DOI: 10.7270/Q27D2W2B
More data for this
Ligand-Target Pair
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