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PubMed code 23043430

Compile data set for download or QSAR
Found 12 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
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
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UniChem
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PubMed
2.50E+3n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
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UniChem
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1.40E+4n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243074
PNG
(α-Gl inhibitor, C2)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(Br)cc2)c2[nH]c(=O)[nH]c(=O)c12
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3.00E+4n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
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7.00E+4n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243074
PNG
(α-Gl inhibitor, C2)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(Br)cc2)c2[nH]c(=O)[nH]c(=O)c12
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1.30E+5n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
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1.70E+5n/an/an/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
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n/an/a 9.60E+3n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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PubMed
n/an/a 1.36E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243074
PNG
(α-Gl inhibitor, C2)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(Br)cc2)c2[nH]c(=O)[nH]c(=O)c12
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n/an/a 2.51E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Mus musculus (Mouse))
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
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UniProtKB/SwissProt

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UniChem
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n/an/a 6.41E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
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n/an/a 7.49E+4n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM23406
PNG
((3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5...)
Show SMILES C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Show InChI InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1
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n/an/a 2.75E+5n/an/an/an/a7.0n/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25°C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)


Article DOI: 10.3109/14756366.2012.727812
BindingDB Entry DOI: 10.7270/Q2XP73V0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%