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PubMed code 28259376

Compile data set for download or QSAR
Found 11 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
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222282
PNG
(N-(3-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-7-6-13(18-19-14)17-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,18)
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Article
PubMed
n/an/a 1.93E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
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
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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Similars

Article
PubMed
n/an/a 3.83E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222281
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cc(C)cc(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 8.73E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222287
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitr...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222279
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-toly...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)cc2)nn1
Show InChI InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
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n/an/a 9.36E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222278
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylp...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccccc2)nn1
Show InChI InChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
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n/an/a 9.61E+4n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222285
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-meth...)
Show SMILES COc1ccc(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N6O3/c1-10-16(22(23)24)11(2)21(20-10)15-9-8-14(18-19-15)17-12-4-6-13(25-3)7-5-12/h4-9H,1-3H3,(H,17,18)
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222280
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)c(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-5-6-14(9-11(10)2)18-15-7-8-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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n/an/a 1.72E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222286
PNG
(N-(2,5-Dimethoxyphenyl)-6-(3,5-dimethyl-4-nitro-1H...)
Show SMILES COc1ccc(OC)c(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
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n/an/a 2.75E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222283
PNG
(N-(4-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 3.92E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222284
PNG
(N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyraz...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C15H13BrN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 4.29E+5n/an/an/an/an/an/a



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%