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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 289.4
BDBM18358
Purchase
Wt: 200.1
BDBM108215
Wt: 304.3
BDBM108216
Wt: 284.3
BDBM108217
Wt: 312.4
BDBM108218
Wt: 289.4
BDBM50156357
Purchase
Wt: 163.1
BDBM50163440
Purchase
Wt: 177.1
BDBM50234562
Wt: 163.1
BDBM50241865
Purchase
Wt: 217.3
BDBM50320826
Wt: 215.2
BDBM50320827
Wt: 287.3
BDBM50358321
Wt: 287.3
BDBM50358322
Wt: 133.1
BDBM50375511
Purchase
Wt: 163.1
BDBM50437446
Displayed 1 to 15 (of 35 total )  |  Next  |  Last  >>

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

Found 135 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))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
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3.19n/an/an/an/an/an/a5.2n/a



Nankai University



Assay Description
To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108217
PNG
(2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...)
Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3
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5.34n/an/an/an/an/an/a5.2n/a



Nankai University



Assay Description
To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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5.38n/an/an/an/an/an/a5.2n/a



Nankai University



Assay Description
To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50163440
PNG
((2R,3S,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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13n/an/an/an/an/an/an/an/a



Technische Universit£t Graz

Curated by ChEMBL


Assay Description
Inhibition of alpha-galactosidase green coffee beans


Bioorg Med Chem Lett 20: 4077-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.084
BindingDB Entry DOI: 10.7270/Q24Q7VZN
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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33.1n/an/an/an/an/an/a5.2n/a



Nankai University



Assay Description
To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
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
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300 -38.7 660n/an/an/an/a5.537



Hokuriku University



Assay Description
Enzyme activity was determined as the production of fluorescent 4-MU from the substrate. The fluorescence was measured (excitation 362 nm, emission 4...


Bioorg Med Chem 14: 7736-44 (2006)


Article DOI: 10.1016/j.bmc.2006.08.003
BindingDB Entry DOI: 10.7270/Q2BZ649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/a5.2n/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant beta-glucocerebrosidase assessed as 4-methyumbelliferone formation after 30 mins by Lineweaver-Burk plot ...


ACS Med Chem Lett 2: 614-619 (2011)


Article DOI: 10.1021/ml200098j
BindingDB Entry DOI: 10.7270/Q2R78G6C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/a5.2n/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Competitive inhibition of beta-glucocerebrosidase at pH 5.2 by Lineweaver-Burke plot analysis


J Med Chem 53: 5248-55 (2010)


Article DOI: 10.1021/jm100198t
BindingDB Entry DOI: 10.7270/Q2VH5PS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-galactosidase


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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300n/an/an/an/an/an/an/an/a



Amicus Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human beta galactosidase


J Med Chem 56: 2705-25 (2013)


Article DOI: 10.1021/jm301557k
BindingDB Entry DOI: 10.7270/Q26111N4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Binding affinity to recombinant imiglucerase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 30 mins before substrate...


J Med Chem 55: 4479-88 (2012)


Article DOI: 10.1021/jm300342q
BindingDB Entry DOI: 10.7270/Q2GQ6ZV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas)

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant glucocerebrosidase


J Med Chem 54: 2069-79 (2011)


Article DOI: 10.1021/jm101204u
BindingDB Entry DOI: 10.7270/Q24F1R18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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488n/an/an/an/an/an/a5.2n/a



Nankai University



Assay Description
To determine inhibition constant (Ki), substrate (7.5µL, various concentrations in Mcllvaine buffer, pH 5.2) and enzyme (12.5µL, 0.1mg/mL) ...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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870n/an/an/an/an/an/an/an/a



Graz University of Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta-galactosidase


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))
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Genomics Research Center

Curated by ChEMBL


Assay Description
Competitive inhibition of human beta-glucocerebrosidase by Lineweaver-Burk double reciprocal plot method


Bioorg Med Chem 21: 5021-8 (2013)


Article DOI: 10.1016/j.bmc.2013.06.054
BindingDB Entry DOI: 10.7270/Q2XG9SJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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
Alpha-L-fucosidase 1


(Bos taurus)
BDBM50437446
PNG
(CHEMBL2409341)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney alpha-L-fucosidase


Bioorg Med Chem 21: 4803-12 (2013)


Article DOI: 10.1016/j.bmc.2013.03.035
BindingDB Entry DOI: 10.7270/Q2GQ7053
More data for this
Ligand-Target Pair
Beta-galactosidase


(Rhizobium meliloti)
BDBM50163440
PNG
((2R,3S,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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1.25E+4n/an/an/an/an/an/an/an/a



Technische Universität Graz

Curated by ChEMBL


Assay Description
Inhibition of Agrobacterium sp. beta-galactosidase


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
beta-Galactosidase (β-Gal)(I51T)


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,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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4.47E+4 -25.8n/an/an/an/an/a4.537



The University of Tokyo



Assay Description
β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...


J Biol Chem 289: 14560-8 (2014)


Article DOI: 10.1074/jbc.M113.529529
BindingDB Entry DOI: 10.7270/Q2WH2NW4
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)(R201C)


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,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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4.90E+4 -25.6n/an/an/an/an/a4.537



The University of Tokyo



Assay Description
β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...


J Biol Chem 289: 14560-8 (2014)


Article DOI: 10.1074/jbc.M113.529529
BindingDB Entry DOI: 10.7270/Q2WH2NW4
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50437446
PNG
(CHEMBL2409341)
Show SMILES O[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-3-1-7-2-4(9)6(11)5(3)10/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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5.40E+4n/an/an/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of coffee bean alpha-galactosidase


Bioorg Med Chem 21: 4803-12 (2013)


Article DOI: 10.1016/j.bmc.2013.03.035
BindingDB Entry DOI: 10.7270/Q2GQ7053
More data for this
Ligand-Target Pair
beta-Galactosidase (β-Gal)


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,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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6.18E+4 -25.0n/an/an/an/an/a4.537



The University of Tokyo



Assay Description
β-Gal activity was measured by using 4-methylumbelliferyll-β-D-galactopyranoside in buffer B (0.15 M sodium citrate, pH 4.5, and 0.2 M NaCl...


J Biol Chem 289: 14560-8 (2014)


Article DOI: 10.1074/jbc.M113.529529
BindingDB Entry DOI: 10.7270/Q2WH2NW4
More data for this
Ligand-Target Pair
Alpha-L-fucosidase I


(Homo sapiens)
BDBM50163440
PNG
((2R,3S,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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3.40E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Alpha-Fucosidase


Bioorg Med Chem Lett 2: 33-36 (1992)


Article DOI: 10.1016/S0960-894X(00)80649-6
BindingDB Entry DOI: 10.7270/Q2FF3SV0
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
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n/an/a 2.04n/an/an/an/a7.0n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
α-galactosidase


(Coffea arabica (Coffee beans))
BDBM50163440
PNG
((2R,3S,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 3n/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
Glucosylceramidase


(Homo sapiens (human))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
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n/an/a 3.71n/an/an/an/a5.2n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108217
PNG
(2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...)
Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3
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n/an/a 4.26n/an/an/an/a7.0n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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n/an/a 5.05n/an/an/an/a7.0n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108217
PNG
(2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...)
Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3
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n/an/a 5.34n/an/an/an/a5.2n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Beta-glucosidase


(Homo sapiens)
BDBM18358
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-...)
Show SMILES CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant GBA2 preincuabated with compound for 30 mins using 4-methylumbelliferyl-B-glucoside substrate by fluorimetric assay


ACS Med Chem Lett 2: 119-123 (2011)


Article DOI: 10.1021/ml100192b
BindingDB Entry DOI: 10.7270/Q21C1X5H
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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n/an/a 8.39n/an/an/an/a5.2n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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n/an/a 37n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
β-glucosidase


(Prunus dulcis (Almond))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
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n/an/a 58n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,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 70n/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human alpha-galactosidase


J Med Chem 48: 2036-44 (2005)


Article DOI: 10.1021/jm0495881
BindingDB Entry DOI: 10.7270/Q2DF6S0M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-glucosidase A (α-Gal A)


(Homo sapiens (Human))
BDBM50163440
PNG
((2R,3S,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 70n/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
3D
3D Structure (crystal)
β-glucosidase


(Prunus dulcis (Almond))
BDBM108217
PNG
(2-(3,3-dimethylbutyl)-5-(hydroxymethyl)- 5H,6H,7H,...)
Show SMILES CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C14H24N2O4/c1-14(2,3)5-4-8-6-16-9(7-17)10(18)11(19)12(20)13(16)15-8/h6,9-12,17-20H,4-5,7H2,1-3H3
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n/an/a 79n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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n/an/a 79.2n/an/an/an/a7.0n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Alpha-glucosidase


(Oryza sativa subsp. japonica)
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-Glucosidase from rice


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
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 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
Glucosylceramidase


(Homo sapiens (human))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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n/an/a 91.6n/an/an/an/a5.2n/a



Nankai University



Assay Description
The assays were performed at 37°C with 4-MU-β-ᴅ-Glu as the substrate in Mcllvaine buffer (sodium citrate (100mM) and sodium phosphate...


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
β-glucosidase


(Prunus dulcis (Almond))
BDBM108218
PNG
(5-(hydroxymethyl)-2-octyl-5H,6H,7H,8H-imidazo[1,2-...)
Show SMILES CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Show InChI InChI=1S/C16H28N2O4/c1-2-3-4-5-6-7-8-11-9-18-12(10-19)13(20)14(21)15(22)16(18)17-11/h9,12-15,19-22H,2-8,10H2,1H3
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n/an/a 117n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
Beta-galactosidase


(Homo sapiens)
BDBM50358321
PNG
(CHEMBL1922579 | CHEMBL1922581)
Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1
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n/an/a 125n/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
3D
3D Structure (crystal)
β-galactosidase


(Bos taurus (Bovine))
BDBM108216
PNG
(5-(hydroxymethyl)-2-(2-phenylethyl)-5H,6H,7H,8H- i...)
Show SMILES OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
Show InChI InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2
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n/an/a 190n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
β-glucosidase


(Prunus dulcis (Almond))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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n/an/a 220n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM108215
PNG
(5-(hydroxymethyl)-5H,6H,7H,8H-imidazo[1,2- a]pyrid...)
Show SMILES OCC1C(O)C(O)C(O)c2nccn12
Show InChI InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2
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n/an/a 230n/an/an/an/a10.637



Nankai University



Assay Description
In a 96-well plates, 10µL of commercial enzyme solutions without (control) or with 20µL of inhibitor were incubated at 37°C for 5 min....


Chembiochem 14: 1239-47 (2013)


Article DOI: 10.1002/cbic.201300197
BindingDB Entry DOI: 10.7270/Q2NS0SHP
More data for this
Ligand-Target Pair
alpha-Glucosidase (α-Glucosidase)


(Rattus norvegicus (Rat))
BDBM50156357
PNG
(2-Hydroxymethyl-1-nonyl-piperidine-3,4,5-triol | C...)
Show SMILES CCCCCCCCCN1CC(O)C(O)C(O)C1CO
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of rat intestinal isomaltase using disaccharide


Bioorg Med Chem Lett 14: 5991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.086
BindingDB Entry DOI: 10.7270/Q27P904W
More data for this
Ligand-Target Pair
Sucrase-isomaltase


(Homo sapiens)
BDBM50163440
PNG
((2R,3S,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 260n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of sucrase 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
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