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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 193.1
BDBM50082234
Wt: 163.1
BDBM50241865
Purchase
Wt: 162.1
BDBM50099009
Wt: 147.1
BDBM50350758
Purchase
Wt: 193.1
BDBM50403720
Purchase
Wt: 191.2
BDBM50150471
Wt: 218.2
BDBM50150472
Wt: 451.5
BDBM50150470
Wt: 162.1
BDBM50204609
Wt: 133.1
BDBM50204611
Wt: 204.2
BDBM50204613
Wt: 162.1
BDBM50204610

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 45 hits in this display   
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
Beta-galactosidase


(Escherichia coli)
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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13n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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25n/an/an/an/an/an/an/an/a



Institut für Biochemie der Technischen Universität Graz

Curated by ChEMBL


Assay Description
Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method


Bioorg Med Chem Lett 11: 1339-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00209-8
BindingDB Entry DOI: 10.7270/Q2JQ1097
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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25n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Tested for inhibitory activity of the compound against Beta-glucosidase from Agrobacterium species


Bioorg Med Chem Lett 11: 1063-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00126-3
BindingDB Entry DOI: 10.7270/Q2222T12
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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31n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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49n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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200n/an/an/an/an/an/an/an/a



Institut für Biochemie der Technischen Universität Graz

Curated by ChEMBL


Assay Description
Inhibitory activity against Agrobacterium sp. Beta-glucosidase employing fluorescence spectrometric method


Bioorg Med Chem Lett 11: 1339-42 (2001)


Article DOI: 10.1016/s0960-894x(01)00209-8
BindingDB Entry DOI: 10.7270/Q2JQ1097
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1
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280n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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500n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Competitive inhibition of human lysosome alpha-galactosidase by Lineweaver-Burk plot analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1
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8.94E+3n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150472
PNG
(CHEMBL3770736)
Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Homo sapiens)
BDBM50082234
PNG
((3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-...)
Show SMILES OCC1NC(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+
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n/an/a 22n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-galactosidase from coffee bean.


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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n/an/a 53n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50150470
PNG
(CHEMBL3771185)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Lactase-glycosylceramidase


(Rattus norvegicus)
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 510n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal lactase assessed as production of p-nitrophenol by spectrophotometry


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50099009
PNG
((3S,4S,5R)-2-Aminomethyl-5-hydroxymethyl-pyrrolidi...)
Show SMILES NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4-,5?,6+/m1/s1
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n/an/a 670n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human lysosome alpha-galactosidase assessed as p-nitrophenol release by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 750n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 780n/an/an/an/a6.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)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/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50150471
PNG
(CHEMBL3770764)
Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-galactosidase using 4-MU beta-gal as substrate incubated for 96 hrs by fluorescence assay


Bioorg Med Chem Lett 26: 1438-42 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.059
BindingDB Entry DOI: 10.7270/Q2HQ41SR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Rattus norvegicus)
BDBM50082234
PNG
((3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-...)
Show SMILES OCC1NC(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+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-galactosidase from rat epididymis.


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Lactase-glycosylceramidase


(Rattus norvegicus)
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal lactase assessed as p-nitrophenol release by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204611
PNG
(CHEMBL1289018 | D-15)
Show SMILES OC[C@H]1NC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5+/m1/s1
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n/an/a 9.50E+3n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204610
PNG
(CHEMBL3908900)
Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5+,6-/m0/s1
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n/an/a 1.06E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204609
PNG
(CHEMBL3985941)
Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m1/s1
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n/an/a 1.40E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 1.90E+4n/an/an/an/a5.0n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as p-nitrophenol release at pH 5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase assessed as production of p-nitrophenol by spectrophotometry


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204613
PNG
(CHEMBL3929052)
Show SMILES CC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)9-2-5-7(13)8(14)6(3-11)10-5/h5-8,10-11,13-14H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8+/m1/s1
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n/an/a 2.21E+4n/an/an/an/a7.0n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 7 after 15 mins by fluoresc...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204610
PNG
(CHEMBL3908900)
Show SMILES NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5+,6-/m0/s1
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n/an/a 3.42E+4n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Mus musculus)
BDBM50403720
PNG
(CHEMBL2111688)
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/a<5.00E+4n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase from rat intestinal maltase at concentration 1 mM


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Mus musculus)
BDBM50082234
PNG
((3R,4R,5S)-2,6-Bis-hydroxymethyl-piperidine-3,4,5-...)
Show SMILES OCC1NC(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+
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n/an/a<5.00E+4n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase from rat intestinal maltase at concentration 1 mM


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of human lysosome beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrat...


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
Glucosylceramidase


(Bos taurus)
BDBM50350758
PNG
(CHEMBL1818433)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-glucosidase assessed as production of 4-methylumbelliferone using 4-methylumbelliferyl beta-D-glucoside as substrate ...


Bioorg Med Chem 19: 3558-68 (2011)


Article DOI: 10.1016/j.bmc.2011.04.011
BindingDB Entry DOI: 10.7270/Q2BC3ZWW
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Rattus norvegicus)
BDBM50403720
PNG
(CHEMBL2111688)
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/a 6.70E+4n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-galactosidase from rat epididymis.


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase C


(Homo sapiens)
BDBM50403720
PNG
(CHEMBL2111688)
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/a 8.00E+4n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-galactosidase from coffee bean.


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50403720
PNG
(CHEMBL2111688)
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/a 1.60E+5n/an/an/an/an/an/a



Institut de Chimie Organique et Analytique (I.C.O.A.)

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-galactosidase from bovine liver


Bioorg Med Chem Lett 9: 3171-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00551-x
BindingDB Entry DOI: 10.7270/Q2GT5MDZ
More data for this
Ligand-Target Pair
Probable alpha-glucosidase Os06g0675700


(Oryza sativa subsp. japonica)
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 1.71E+5n/an/an/an/a5.0n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rice alpha-glucosidase assessed as D-glucose release at pH 5 after 10 to 30 mins


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50204609
PNG
(CHEMBL3985941)
Show SMILES NC[C@H]1N[C@@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H14N2O3/c7-1-3-5(10)6(11)4(2-9)8-3/h3-6,8-11H,1-2,7H2/t3-,4+,5-,6+/m1/s1
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MMDB

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n/an/a 2.66E+5n/an/an/an/a4.6n/a



National Cheng-Kung University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant lysosomal alpha GAL-A using 4-methylberiilyl alpha-D-galactopyranoside as substrate at pH 4.6 after 10 mins by fluore...


Eur J Med Chem 123: 14-20 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.025
BindingDB Entry DOI: 10.7270/Q2RB76KN
More data for this
Ligand-Target Pair
Alpha-L-fucosidase 1


(Bos taurus)
BDBM50241865
PNG
(2,5-dideoxy-2,5-imino-D-altritol | 2R,5R-dihydroxy...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 5.03E+5n/an/an/an/a5.5n/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol release at pH 5.5 by spectrometric analysis


Bioorg Med Chem 18: 3790-4 (2010)


Article DOI: 10.1016/j.bmc.2010.04.048
BindingDB Entry DOI: 10.7270/Q2XK8FQP
More data for this
Ligand-Target Pair