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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 147.1
BDBM50182801
Purchase
Wt: 133.1
BDBM50234567
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Wt: 147.1
BDBM50240725
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Wt: 147.1
BDBM50242267
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Wt: 147.1
BDBM50242268
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Wt: 147.1
BDBM50263043
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Wt: 147.1
BDBM50292389
Wt: 161.1
BDBM50353064
Wt: 161.1
BDBM50360268
Wt: 161.1
BDBM50360269
Wt: 147.1
BDBM50350757
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Wt: 147.1
BDBM50350758
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Wt: 147.1
BDBM50350760
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Wt: 131.1
BDBM50407255
Wt: 131.1
BDBM50403869
Displayed 1 to 15 (of 101 total )  |  Next  |  Last  >>

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

Found 129 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
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
Glucosylceramidase


(Homo sapiens (human))
BDBM50350757
PNG
(CHEMBL1818432)
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+/m0/s1
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110n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-glucosidase of sweet almond


Bioorg Med Chem Lett 9: 615-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00042-6
BindingDB Entry DOI: 10.7270/Q2V40VQH
More data for this
Ligand-Target Pair
Alpha-L-fucosidase 1


(Bos taurus)
BDBM50242268
PNG
(2,5-Imino-1,2,5-trideoxy-L-glucitol | CHEMBL502230)
Show SMILES C[C@H]1N[C@@H](CO)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
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490n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine epididymis alpha-L-fucosidase 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
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
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
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
Beta-glucosidase A


(Caldocellum saccharolyticum)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol.


Bioorg Med Chem Lett 11: 2489-93 (2001)


Article DOI: 10.1016/s0960-894x(01)00477-2
BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Glucoamylase


(Rhizopus oryzae)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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4.40E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-glucosidase from Rhizopus mold (amyloglucosidase)


Bioorg Med Chem Lett 11: 2489-93 (2001)


Article DOI: 10.1016/s0960-894x(01)00477-2
BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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5.30E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Beta-Glucosidase from Almond


Bioorg Med Chem Lett 11: 2489-93 (2001)


Article DOI: 10.1016/s0960-894x(01)00477-2
BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Glucoamylase


(Aspergillus niger)
BDBM50403869
PNG
(CHEMBL2115197)
Show SMILES CC[C@H]1NC[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5+,6-/m1/s1
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6.40E+4n/an/an/an/an/an/an/an/a



Section de Chimie de l'Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory activity towards Alpha-glucosidase from Aspergillus niger (amyloglucosidase)


Bioorg Med Chem Lett 11: 2489-93 (2001)


Article DOI: 10.1016/s0960-894x(01)00477-2
BindingDB Entry DOI: 10.7270/Q2H70GBZ
More data for this
Ligand-Target Pair
Alpha glucosidase


(Homo sapiens)
BDBM50350757
PNG
(CHEMBL1818432)
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+/m0/s1
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8.60E+4n/an/an/an/an/an/an/an/a



Technische Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-glucosidase of yeast


Bioorg Med Chem Lett 9: 615-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00042-6
BindingDB Entry DOI: 10.7270/Q2V40VQH
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
BDBM50353064
PNG
(CHEMBL1822731)
Show SMILES CO[C@@H]1CN(C)C[C@@H](CO)O1
Show InChI InChI=1S/C7H15NO3/c1-8-3-6(5-9)11-7(4-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
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1.26E+5n/an/an/an/an/an/an/an/a



University of Reading

Curated by ChEMBL


Assay Description
Inhibition of bovine kidney beta-D-galactosidase after 10 to 20 mins


Bioorg Med Chem 19: 5679-92 (2011)


Article DOI: 10.1016/j.bmc.2011.07.019
BindingDB Entry DOI: 10.7270/Q2QZ2BB5
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
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
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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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)
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 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)
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
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
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-L-fucosidase 1


(Bos taurus)
BDBM50242268
PNG
(2,5-Imino-1,2,5-trideoxy-L-glucitol | CHEMBL502230)
Show SMILES C[C@H]1N[C@@H](CO)[C@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3/c1-3-5(9)6(10)4(2-8)7-3/h3-10H,2H2,1H3/t3-,4+,5+,6+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of bovine epididymis alpha-L-fucosidase 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
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)
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
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
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
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
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 3.00E+3n/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
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 3.10E+3n/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)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
β-galactosidase


(Bos taurus (Bovine))
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 3.60E+3n/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
Beta-galactosidase


(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 4.00E+3n/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)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
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 4.30E+3n/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
Trehalase


(Rattus norvegicus)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Concentration that causes 50% inhibition of mammalian trehalase was determined in porcine kidney


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
Glucosylceramidase


(Bos taurus)
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 5.60E+3n/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)
BDBM50407255
PNG
(CHEMBL2114189)
Show SMILES CC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO2/c1-2-4-6(9)5(8)3-7-4/h4-9H,2-3H2,1H3/t4-,5-,6-/m1/s1
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n/an/a 5.80E+3n/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)


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))
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 6.00E+3n/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
Neutral alpha-glucosidase C


(Mus musculus)
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 6.40E+3n/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)


Article DOI: 10.1021/jm00048a006
BindingDB Entry DOI: 10.7270/Q2ZC83H3
More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50263043
PNG
(CHEMBL501385 | L-Isofagomine)
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-/m0/s1
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MMDB

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n/an/a 8.70E+3n/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


(Homo sapiens (human))
BDBM50263043
PNG
(CHEMBL501385 | L-Isofagomine)
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-/m0/s1
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n/an/a 9.00E+3n/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
Ceramide glucosyltransferase


(Mus musculus)
BDBM50350760
PNG
(CHEMBL1818436)
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-/m0/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
Ceramide glucosyltransferase


(Mus musculus)
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>1.00E+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
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
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
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