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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 126.1
BDBM50031472
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Wt: 147.1
BDBM50031480
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Wt: 147.1
BDBM50182801
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Wt: 133.1
BDBM50234567
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Wt: 147.1
BDBM50240725
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Wt: 147.1
BDBM50263043
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Wt: 147.1
BDBM50292389
Wt: 147.1
BDBM50350760
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Wt: 131.1
BDBM50373979
Wt: 125.1
BDBM50373980
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Wt: 125.1
BDBM50373981
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Wt: 133.1
BDBM50375511
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Wt: 117.1
BDBM50375512
Wt: 147.1
BDBM50399650
Wt: 133.1
BDBM50016703
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Displayed 1 to 15 (of 252 total )  |  Next  |  Last  >>

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

Found 141 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
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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1.70n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-glucosidase


(Agrobacterium tumefaciens)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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7n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-glucosidase


Bioorg Med Chem Lett 16: 2067-70 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.095
BindingDB Entry DOI: 10.7270/Q26Q1WV2
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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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400n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against pig Liver glycogen phosphorylase a


J Med Chem 47: 3537-45 (2004)


Article DOI: 10.1021/jm031121n
BindingDB Entry DOI: 10.7270/Q2HM5977
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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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400n/an/an/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase using tritium-labeled glycogen as substrate by scintillation counter


Eur J Med Chem 108: 444-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.004
BindingDB Entry DOI: 10.7270/Q2QR500M
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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490n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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520n/an/an/an/an/an/an/an/a



Gumushane University

Curated by ChEMBL


Assay Description
Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay


Bioorg Med Chem Lett 21: 4259-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.071
BindingDB Entry DOI: 10.7270/Q2PC32Q0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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520n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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540n/an/an/an/an/an/an/an/a



Gumushane University

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay


Bioorg Med Chem Lett 21: 4259-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.071
BindingDB Entry DOI: 10.7270/Q2PC32Q0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase


(Homo sapiens)
BDBM50234567
PNG
(1,4-dideoxy-1,4-imino-D-ribitol | CHEMBL261634 | I...)
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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1.26E+3n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human ER alpha mannosidase 1


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of green coffee bean alpha-galactosidase using o-nitrophenyl alpha-D-galactopyranoside after 10 to 30 mins by spectrophotometric method


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50373981
PNG
(CHEMBL403239)
Show SMILES Nc1c(O)cccc1O
Show InChI InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
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4.20E+3n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of sucrose hydrolyzing activity of rat intestinal alpha glucosidase


Bioorg Med Chem Lett 18: 812-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.032
BindingDB Entry DOI: 10.7270/Q2MG7QC9
More data for this
Ligand-Target Pair
beta-Galactosidase (β-gal)


(Escherichia coli (Enterobacteria))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



University of Seville

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli beta-galactosidase using o-nitrophenyl beta-D-galactopyranoside after 10 to 30 mins by spectrophotometric method


Eur J Med Chem 121: 880-891 (2016)


Article DOI: 10.1016/j.ejmech.2015.08.038
BindingDB Entry DOI: 10.7270/Q2FT8P07
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Dicentrarchus labrax)
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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4.39E+3n/an/an/an/an/an/an/an/a



Gumushane University

Curated by ChEMBL


Assay Description
Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay


Bioorg Med Chem Lett 21: 4259-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.071
BindingDB Entry DOI: 10.7270/Q2PC32Q0
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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5.20E+3n/an/an/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase in presence of phosphate


J Med Chem 49: 5687-701 (2006)


Article DOI: 10.1021/jm060496g
BindingDB Entry DOI: 10.7270/Q25Q4VQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
IAG-nucleoside hydrolase


(Trypanosoma vivax)
BDBM50234567
PNG
(1,4-dideoxy-1,4-imino-D-ribitol | CHEMBL261634 | I...)
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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6.10E+3n/an/an/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichia coli WK6


Eur J Med Chem 43: 315-26 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.027
BindingDB Entry DOI: 10.7270/Q28P61FH
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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6.83E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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7.35E+3n/an/an/an/an/an/an/an/a



Agri Ibrahim Çeçen University



Assay Description
Kinetic studies were performed using the esterase activity method, with 4-nitrophenyl acetate (NPA) as substrate.


J Enzyme Inhib Med Chem 27: 880-5 (2012)


Article DOI: 10.3109/14756366.2011.637202
BindingDB Entry DOI: 10.7270/Q2VH5MRR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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7.41E+3n/an/an/an/an/an/an/an/a



Gumushane University

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay


Bioorg Med Chem Lett 21: 4259-62 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.071
BindingDB Entry DOI: 10.7270/Q2PC32Q0
More data for this
Ligand-Target Pair
Procollagen-proline,2-oxoglutarate-4-dioxygenase


(Gallus gallus (Chicken))
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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3.00E+4n/an/an/an/an/an/an/an/a



University of Oulu



Assay Description
Inhibition assay using procollagen-prolin, 2-oxoglutarate 4-dioxygenase.


J Biol Chem 261: 7819-23 (1986)


BindingDB Entry DOI: 10.7270/Q2SJ1J6Z
More data for this
Ligand-Target Pair
Mannosidase 2 alpha 1


(Rattus norvegicus)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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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3.50E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


Article DOI: 10.1021/jm00013a012
BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Mannosidase 2 alpha 1


(Rattus norvegicus)
BDBM50031480
PNG
((2R,3R,4R)-2-Hydroxymethyl-1-methyl-pyrrolidine-3,...)
Show SMILES CN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m1/s1
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5.10E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II


J Med Chem 38: 2349-56 (1995)


Article DOI: 10.1021/jm00013a012
BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Trehalose Synthase (TreS)


(Mycobacterium tuberculosis)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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1.40E+5n/an/an/an/an/an/an/an/a



University of British Columbia



Assay Description
The inhibition of TreS by a range of known alpha-glucosidase inhibitor was assayed.


J Biol Chem 286: 35601-9 (2011)


Article DOI: 10.1074/jbc.M111.280362
BindingDB Entry DOI: 10.7270/Q2VM49V1
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Homo sapiens (Human))
BDBM50234567
PNG
(1,4-dideoxy-1,4-imino-D-ribitol | CHEMBL261634 | I...)
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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1.43E+6n/an/an/an/an/an/an/an/a



Universidade do Porto 687

Curated by ChEMBL


Assay Description
Inhibition of human golgi alpha mannosidase 2


Bioorg Med Chem 20: 6945-59 (2012)


Article DOI: 10.1016/j.bmc.2012.10.011
BindingDB Entry DOI: 10.7270/Q26T0NTC
More data for this
Ligand-Target Pair
Beta-mannosidase


(Bacteroides thetaiotaomicron)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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PubMed
9.00E+6 -12.1n/an/an/an/an/a5.637



The Medical School, Newcastle University



Assay Description
Putative mannosidase assay using wild-type protein Btman2A. Enzyme inhibition assay.


Nat Chem Biol 4: 306-12 (2008)


Article DOI: 10.1038/nchembio.81
BindingDB Entry DOI: 10.7270/Q2X34VS6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 8.20n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50373981
PNG
(CHEMBL403239)
Show SMILES Nc1c(O)cccc1O
Show InChI InChI=1S/C6H7NO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H,7H2
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n/an/a 8.5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase


Bioorg Med Chem Lett 18: 812-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.032
BindingDB Entry DOI: 10.7270/Q2MG7QC9
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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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Article
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n/an/a 30n/an/an/an/an/an/a



National Center for Advancing Translation Sciences

Curated by ChEMBL


Assay Description
Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...


J Med Chem 55: 5734-48 (2012)


Article DOI: 10.1021/jm300063b
BindingDB Entry DOI: 10.7270/Q2H70GZ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 59n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of GCase assessed as 4-methylumbelliferone release assay after 30 mins by fluorimetry


Nat Chem Biol 3: 101-7 (2007)


Article DOI: 10.1038/nchembio850
BindingDB Entry DOI: 10.7270/Q2639PX9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 60n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of human lysosomal beta-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)
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 63n/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
3D
3D Structure (crystal)
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat isomaltase


Bioorg Med Chem 16: 2734-40 (2008)


Article DOI: 10.1016/j.bmc.2008.01.032
BindingDB Entry DOI: 10.7270/Q2FB53T0
More data for this
Ligand-Target Pair
Lactase-glycosylceramidase


(Rattus norvegicus)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 120n/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
Glucoamylase, intracellular sporulation-specific


(Saccharomyces cerevisiae S288c)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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 150n/an/an/an/an/an/a



Universit£ de Haute-Alsace

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-D-glucosidase


Bioorg Med Chem 15: 4125-35 (2007)


Article DOI: 10.1016/j.bmc.2007.03.073
BindingDB Entry DOI: 10.7270/Q2348M5N
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using isomoltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50399650
PNG
(CHEMBL2177689)
Show SMILES C[C@@]1(CO)NC[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c1-6(3-8)5(10)4(9)2-7-6/h4-5,7-10H,2-3H2,1H3/t4-,5+,6-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 670n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated form of pig liver glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)


Article DOI: 10.1021/jm060496g
BindingDB Entry DOI: 10.7270/Q25Q4VQP
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Rattus norvegicus)
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 680n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated form of rat liver glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)


Article DOI: 10.1021/jm060496g
BindingDB Entry DOI: 10.7270/Q25Q4VQP
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 700n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of liver glycogen phosphorylase A


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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 760n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated form of rabbit muscle glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)


Article DOI: 10.1021/jm060496g
BindingDB Entry DOI: 10.7270/Q25Q4VQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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 840n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)


Article DOI: 10.1021/np010360f
BindingDB Entry DOI: 10.7270/Q2ZW1KN6
More data for this
Ligand-Target Pair
Acidic alpha-glucosidase


(Rattus norvegicus)
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase using moltose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Rattus norvegicus)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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 1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of glycogen phosphorylase in rat hepatocytes assessed as reduction in basal glycogenolysis


Drug Metab Dispos 41: 878-87 (2013)


Article DOI: 10.1124/dmd.112.050591
BindingDB Entry DOI: 10.7270/Q2TB18M8
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal sucrase using sucrose as substrate


J Med Chem 55: 10347-62 (2012)


Article DOI: 10.1021/jm301304e
BindingDB Entry DOI: 10.7270/Q2K35VTX
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Rattus norvegicus)
BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)C1O
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 1.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of glycogen phosphorylase in rat hepatocytes assessed as reduction in glucagom-induced glycogenolysis


Drug Metab Dispos 41: 878-87 (2013)


Article DOI: 10.1124/dmd.112.050591
BindingDB Entry DOI: 10.7270/Q2TB18M8
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
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 1.21E+3n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)


Article DOI: 10.1021/jm060496g
BindingDB Entry DOI: 10.7270/Q25Q4VQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal maltase


Bioorg Med Chem 16: 2734-40 (2008)


Article DOI: 10.1016/j.bmc.2008.01.032
BindingDB Entry DOI: 10.7270/Q2FB53T0
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
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+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of bovine liver beta-galactosidase


J Med Chem 37: 3701-6 (1994)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50375511
PNG
(CHEMBL406973)
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-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of rat sucrase


Bioorg Med Chem 16: 2734-40 (2008)


Article DOI: 10.1016/j.bmc.2008.01.032
BindingDB Entry DOI: 10.7270/Q2FB53T0
More data for this
Ligand-Target Pair
Lactase-glycosylceramidase


(Rattus norvegicus)
BDBM50292389
PNG
(3-epi-fagomine | 3-epifagomine | CHEMBL456583)
Show SMILES OC[C@H]1NCC[C@H](O)[C@@H]1O
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 1.90E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Tested for competitive inhibition of rat intestinal lactase


J Med Chem 37: 3701-6 (1994)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50031472
PNG
(1,2,3-Trihydroxybenzene, XIV | CHEMBL307145 | Pyro...)
Show SMILES Oc1cccc(O)c1O
Show InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrs


Bioorg Med Chem Lett 18: 1567-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.081
BindingDB Entry DOI: 10.7270/Q2DB81KV
More data for this
Ligand-Target Pair
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