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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 179.2
BDBM50078117
Wt: 173.2
BDBM50168995
Purchase
Wt: 316.3
BDBM50339272
Wt: 318.3
BDBM50339273
Wt: 332.3
BDBM50339274
Wt: 340.4
BDBM50339276
Wt: 312.3
BDBM50339275

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

Found 16 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
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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3 -48.6 37n/an/an/an/a5.7525



University of Toronto



Assay Description
Inhibition of dGMII was measured at pH 5.75. Determination of the IC50 values (concentrations of inhibitor at which 50% of activity remains) was car...


Chembiochem 11: 673-80 (2010)


Article DOI: 10.1002/cbic.200900750
BindingDB Entry DOI: 10.7270/Q2WS8RRM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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3n/an/an/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Drosophila melanogaster (Fruit fly))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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36n/an/an/an/an/an/an/an/a



University of Toronto



Assay Description
The rate of hydrolysis catalyzed by drosophila golgi alpha-mannosidase II (dGMII)and in the presence of different concentration of inhibitor was meas...


Chembiochem 10: 268-77 (2009)


Article DOI: 10.1002/cbic.200800538
BindingDB Entry DOI: 10.7270/Q2DZ06T7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Golgi alpha-mannosidase II


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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90 -41.8n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Golgi alpha-mannosidase II


(Homo sapiens (Human))
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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210 -39.6n/an/an/an/an/a5.637



University of Georgia





Chembiochem 5: 1220-7 (2004)


Article DOI: 10.1002/cbic.200300842
BindingDB Entry DOI: 10.7270/Q2ZW1JF3
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human HCEC


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LN18 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50078117
PNG
((1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTAN...)
Show SMILES CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Glycine max)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Institute of Chemical Sciences and Engineering

Curated by ChEMBL


Assay Description
Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean


J Med Chem 48: 4237-46 (2005)


Article DOI: 10.1021/jm0409019
BindingDB Entry DOI: 10.7270/Q24J0DNV
More data for this
Ligand-Target Pair
Lysosomal alpha-mannosidase


(Homo sapiens)
BDBM50168995
PNG
((-)-swainsonine | (1S,2R,8R,8aR)-Octahydro-indoliz...)
Show SMILES O[C@@H]1CN2CCC[C@@H](O)[C@@H]2[C@@H]1O
Show InChI InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ecole Polytechnique Fédérale de Lausanne

Curated by ChEMBL


Assay Description
Inhibition of alpha-mannosidase in human LNZ308 cells


Bioorg Med Chem 16: 7337-46 (2008)


Article DOI: 10.1016/j.bmc.2008.06.021
BindingDB Entry DOI: 10.7270/Q2668D0J
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50339274
PNG
(2-Phenylethyl alpha-D-mannopyranosyl sulfone | CHE...)
Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H20O7S/c15-8-10-11(16)12(17)13(18)14(21-10)22(19,20)7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13+,14-/m1/s1
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n/an/a 1.50E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50339273
PNG
(Benzyl alpha-D-mannopyranosyl sulfone | CHEMBL1689...)
Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C13H18O7S/c14-6-9-10(15)11(16)12(17)13(20-9)21(18,19)7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12+,13-/m1/s1
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n/an/a 2.00E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50339276
PNG
((2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(octylsulfony...)
Show SMILES CCCCCCCCS(=O)(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C14H28O7S/c1-2-3-4-5-6-7-8-22(19,20)14-13(18)12(17)11(16)10(9-15)21-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13+,14-/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50339275
PNG
((2R,3S,4S,5S,6R)-2-(hexylsulfonyl)-6-(hydroxymethy...)
Show SMILES CCCCCCS(=O)(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C12H24O7S/c1-2-3-4-5-6-20(17,18)12-11(16)10(15)9(14)8(7-13)19-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11+,12-/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair
Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B


(Drosophila melanogaster)
BDBM50339272
PNG
((Rs)-2-phenylethyl alpha-D-mannopyranosyl sulfoxid...)
Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)S(=O)CCc1ccccc1
Show InChI InChI=1S/C14H20O6S/c15-8-10-11(16)12(17)13(18)14(20-10)21(19)7-6-9-4-2-1-3-5-9/h1-5,10-18H,6-8H2/t10-,11-,12+,13+,14-,21?/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Slovak Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster GM2b by spectrophotometry


Eur J Med Chem 46: 944-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.012
BindingDB Entry DOI: 10.7270/Q2MS3TQM
More data for this
Ligand-Target Pair