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Articleid 50034696

Compile data set for download or QSAR
Found 15 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-glucosidase


(Prunus avium)
BDBM50279839
PNG
(CHEMBL157924 | [4-(2-Amino-ethyl)-imidazol-1-yl]-p...)
Show SMILES NCCc1cn(cn1)C(=O)c1ccccc1
Show InChI InChI=1S/C12H13N3O/c13-7-6-11-8-15(9-14-11)12(16)10-4-2-1-3-5-10/h1-5,8-9H,6-7,13H2
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Article
110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM18351
PNG
((2R,3R,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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9.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279833
PNG
((2R,3R,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5-/m1/s1
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1.90E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279832
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-tetrahydro-pyran-3,4...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m0/s1
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7.40E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279833
PNG
((2R,3R,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5-/m1/s1
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1.48E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279835
PNG
((2R,3S,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1
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3.62E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279837
PNG
((3S,4R,5R)-Tetrahydro-pyran-3,4,5-triol | CHEMBL16...)
Show SMILES O[C@H]1COC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5+
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3.90E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Lysosomal acid glucosylceramidase


(Homo sapiens (Human))
BDBM50279838
PNG
((2R,3R,4R,5S)-2-Methyl-tetrahydro-pyran-3,4,5-trio...)
Show SMILES C[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O4/c1-3-5(8)6(9)4(7)2-10-3/h3-9H,2H2,1H3/t3-,4+,5+,6-/m1/s1
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4.20E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279835
PNG
((2R,3S,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-di...)
Show SMILES OC[C@H]1OC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4-,5+/m1/s1
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5.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279834
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol |...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
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6.00E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279834
PNG
((2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol |...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
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7.10E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279836
PNG
((3R,4R)-Tetrahydro-furan-3,4-diol | CHEMBL350524)
Show SMILES O[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
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7.70E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM50279837
PNG
((3S,4R,5R)-Tetrahydro-pyran-3,4,5-triol | CHEMBL16...)
Show SMILES O[C@H]1COC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H10O4/c6-3-1-9-2-4(7)5(3)8/h3-8H,1-2H2/t3-,4+,5+
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8.50E+7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards E-coli Beta-galactosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279832
PNG
((2R,3R,4R,5S)-2-Hydroxymethyl-tetrahydro-pyran-3,4...)
Show SMILES OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6-/m0/s1
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1.40E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
Beta-glucosidase


(Prunus avium)
BDBM50279836
PNG
((3R,4R)-Tetrahydro-furan-3,4-diol | CHEMBL350524)
Show SMILES O[C@@H]1COC[C@H]1O
Show InChI InChI=1S/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
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3.90E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards sweet almond Beta-glucosidase


Bioorg Med Chem Lett 1: 667-672 (1991)


Article DOI: 10.1016/S0960-894X(01)81044-1
BindingDB Entry DOI: 10.7270/Q26W9BKM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%