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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 147.1
BDBM50240725
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 18 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
Glycogen debranching enzyme


(Oryctolagus cuniculus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle amylo-1,6-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
Ceramide glucosyltransferase


(Mus musculus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase in mouse RAW cells preincubated for 15 mins followed by substrate addition and measured after 1 hr by fluores...


ACS Med Chem Lett 2: 519-522 (2011)


Article DOI: 10.1021/ml200050s
BindingDB Entry DOI: 10.7270/Q28916V8
More data for this
Ligand-Target Pair
Beta-galactosidase


(Rattus norvegicus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian lactase beta-galactosidase was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase assessed as production of p-nitrophenol at 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
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase assessed as production of p-nitrophenol at 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
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian cytosolic beta-galactosidase was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Beta-galactosidase


(Bos taurus (Bovine))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 3.80E+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
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat intestinal isomaltase by glucose B-test


J Nat Prod 60: 312-4 (1997)


Article DOI: 10.1021/np960646y
BindingDB Entry DOI: 10.7270/Q2WQ03TX
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane sucrase


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
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-L-fucosidase was determined in bovine epididymis


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Bos taurus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
PDB
MMDB

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n/an/a 2.50E+5n/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
Neutral alpha-glucosidase C


(Mus musculus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-glucosidase (isomaltase) was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 4.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane isomaltase


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


(Bos taurus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 5.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of mammalian alpha-glucosidase (lysosomal) was determined in bovine liver


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Rattus norvegicus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 8.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal brush border membrane maltase


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


(Rattus norvegicus)
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 8.20E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-glucosidase (maltase) was determined in rat intestine


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Neutral alpha-glucosidase AB


(Homo sapiens (Human))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian alpha-mannosidase (golgi II) was determined in rat liver


J Med Chem 37: 3701-6 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Non-lysosomal glucosylceramidase


(Homo sapiens (Human))
BDBM50240725
PNG
((2R,3R,4R)-2-Hydroxymethyl-piperidine-3,4-diol | C...)
Show SMILES OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramidase 2 from spleen of patient with gaucher's disease by fluorimetric analysis


ACS Med Chem Lett 2: 519-522 (2011)


Article DOI: 10.1021/ml200050s
BindingDB Entry DOI: 10.7270/Q28916V8
More data for this
Ligand-Target Pair