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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Beta-glucosidase' AND taxid = 3755   
Target
(Institution)
LigandTarget
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 dulcis)
BDBM85295
PNG
(Glucosidase inhibitor, 6b)
Show SMILES COc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F
Show InChI InChI=1S/C14H18F2O7/c1-21-8-4-6(13(15)16)2-3-7(8)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
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6.00E+4 -25.1n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85296
PNG
(Glucosidase inhibitor, 6c)
Show SMILES CCOc1cc(ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F
Show InChI InChI=1S/C15H20F2O7/c1-2-22-9-5-7(14(16)17)3-4-8(9)23-15-13(21)12(20)11(19)10(6-18)24-15/h3-5,10-15,18-21H,2,6H2,1H3/t10-,11-,12+,13-,15-/m1/s1
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1.00E+5 -23.7n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85300
PNG
(Glucosidase inhibitor, 11)
Show SMILES COc1cc(CF)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C14H19FO7/c1-20-9-4-7(5-15)2-3-8(9)21-14-13(19)12(18)11(17)10(6-16)22-14/h2-4,10-14,16-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1
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8.00E+5 -18.4n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85299
PNG
(Glucosidase inhibitor, 6f)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(c1)C(F)F
Show InChI InChI=1S/C14H18F2O7/c1-21-6-2-3-8(7(4-6)13(15)16)22-14-12(20)11(19)10(18)9(5-17)23-14/h2-4,9-14,17-20H,5H2,1H3/t9-,10-,11+,12-,14-/m1/s1
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9.00E+5 -18.1n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85294
PNG
(Glucosidase inhibitor, 6a)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C(F)F)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16F2O6/c14-12(15)6-1-3-7(4-2-6)20-13-11(19)10(18)9(17)8(5-16)21-13/h1-4,8-13,16-19H,5H2/t8-,9-,10+,11-,13-/m1/s1
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1.70E+6 -16.4n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85297
PNG
(Glucosidase inhibitor, 6d)
Show SMILES COc1cc(cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(F)F
Show InChI InChI=1S/C15H20F2O8/c1-22-7-3-6(14(16)17)4-8(23-2)13(7)25-15-12(21)11(20)10(19)9(5-18)24-15/h3-4,9-12,14-15,18-21H,5H2,1-2H3/t9-,10-,11+,12-,15+/m1/s1
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1.90E+6 -16.2n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair
beta-glucosidase


(Prunus dulcis)
BDBM85298
PNG
(Glucosidase inhibitor, 6e)
Show SMILES OC[C@H]1O[C@@H](Oc2ccccc2C(F)F)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C13H16F2O6/c14-12(15)6-3-1-2-4-7(6)20-13-11(19)10(18)9(17)8(5-16)21-13/h1-4,8-13,16-19H,5H2/t8-,9-,10+,11-,13-/m1/s1
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3.70E+6 -14.4n/an/an/an/an/a5.637



Merrell Dow Research Institute



Assay Description
The enzyme activity was measured by monitoring the increase in absorbance at 400 nm due to hydrolysis of para-nitrophenyl-beta-glucopyranoside. All ...


Bioorg Chem 18: 330-344 (1990)

More data for this
Ligand-Target Pair