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Articleid 50029700

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Beta-galactosidase


(Aspergillus niger)
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
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+/m0/s1
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Article
6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of beta-galactosidase from aspergillus niger.


Bioorg Med Chem Lett 6: 1117-1122 (1996)


Article DOI: 10.1016/0960-894X(96)00183-7
BindingDB Entry DOI: 10.7270/Q2M32VQR
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
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+/m0/s1
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Article
1.28E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of beta-glucosidase from sweet almonds.


Bioorg Med Chem Lett 6: 1117-1122 (1996)


Article DOI: 10.1016/0960-894X(96)00183-7
BindingDB Entry DOI: 10.7270/Q2M32VQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tissue alpha-L-fucosidase


(Homo sapiens (Human))
BDBM50287007
PNG
(1-Benzyl-azepane-3,4,5,6-tetraol | CHEMBL418537)
Show SMILES O[C@@H]1CN(Cc2ccccc2)C[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H19NO4/c15-10-7-14(6-9-4-2-1-3-5-9)8-11(16)13(18)12(10)17/h1-5,10-13,15-18H,6-8H2/t10-,11-,12-,13-/m1/s1
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Article
2.34E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-fucosidase from bovine kidney.


Bioorg Med Chem Lett 6: 1117-1122 (1996)


Article DOI: 10.1016/0960-894X(96)00183-7
BindingDB Entry DOI: 10.7270/Q2M32VQR
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
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+/m0/s1
PDB

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Article
2.94E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-glucosidase from yeast.


Bioorg Med Chem Lett 6: 1117-1122 (1996)


Article DOI: 10.1016/0960-894X(96)00183-7
BindingDB Entry DOI: 10.7270/Q2M32VQR
More data for this
Ligand-Target Pair
Alpha-galactosidase A


(Homo sapiens (Human))
BDBM50287006
PNG
(Azepane-3,4,5,6-tetraol | CHEMBL13922)
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+/m0/s1
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KEGG

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Article
6.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of alpha-galactosidase from green coffee beans.


Bioorg Med Chem Lett 6: 1117-1122 (1996)


Article DOI: 10.1016/0960-894X(96)00183-7
BindingDB Entry DOI: 10.7270/Q2M32VQR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%