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PubMed code 28521172

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
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231687
PNG
(6-Bromo-3-(4-(1-(4-chlorophenyl)-4,5-diphenyl-1H-i...)
Show SMILES Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C39H24BrClN4O2/c40-28-16-21-34-27(22-28)23-32(39(46)47-34)36-33(24-44(43-36)30-14-8-3-9-15-30)38-42-35(25-10-4-1-5-11-25)37(26-12-6-2-7-13-26)45(38)31-19-17-29(41)18-20-31/h1-24H
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n/an/a 2.53E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231691
PNG
(6-Bromo-3-(4-(1-(4-bromophenyl)-4,5-diphenyl-1H-im...)
Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C39H24Br2N4O2/c40-28-16-19-31(20-17-28)45-37(26-12-6-2-7-13-26)35(25-10-4-1-5-11-25)42-38(45)33-24-44(30-14-8-3-9-15-30)43-36(33)32-23-27-22-29(41)18-21-34(27)47-39(32)46/h1-24H
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n/an/a 5.21E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231688
PNG
(6-Bromo-3-(4-(1-(3,5-dimethylphenyl)-4,5-diphenyl-...)
Show SMILES Cc1cc(C)cc(c1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=C(Br)C=CC2OC1=O)-c1ccccc1 |c:41,t:35,38|
Show InChI InChI=1S/C41H31BrN4O2/c1-26-20-27(2)22-33(21-26)46-39(29-14-8-4-9-15-29)37(28-12-6-3-7-13-28)43-40(46)35-25-45(32-16-10-5-11-17-32)44-38(35)34-24-30-23-31(42)18-19-36(30)48-41(34)47/h3-25,30,36H,1-2H3
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n/an/a 5.64E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231690
PNG
(6-Bromo-3-(4-(4,5-diphenyl-1-(p-tolyl)-1H-imidazol...)
Show SMILES Cc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C40H27BrN4O2/c1-26-17-20-32(21-18-26)45-38(28-13-7-3-8-14-28)36(27-11-5-2-6-12-27)42-39(45)34-25-44(31-15-9-4-10-16-31)43-37(34)33-24-29-23-30(41)19-22-35(29)47-40(33)46/h2-25H,1H3
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n/an/a 5.83E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231689
PNG
(6-Bromo-3-(4-(1-(4-methoxyphenyl)-4,5-diphenyl-1Hi...)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1-c1cc2cc(Br)ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C40H27BrN4O3/c1-47-32-20-18-31(19-21-32)45-38(27-13-7-3-8-14-27)36(26-11-5-2-6-12-26)42-39(45)34-25-44(30-15-9-4-10-16-30)43-37(34)33-24-28-23-29(41)17-22-35(28)48-40(33)46/h2-25H,1H3
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n/an/a 9.27E+3n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231682
PNG
(3-(4-(1-(4-Chlorophenyl)-4,5-diphenyl-1H-imidazol-...)
Show SMILES Clc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:37,39,t:34|
Show InChI InChI=1S/C39H27ClN4O2/c40-29-20-22-31(23-21-29)44-37(27-14-6-2-7-15-27)35(26-12-4-1-5-13-26)41-38(44)33-25-43(30-17-8-3-9-18-30)42-36(33)32-24-28-16-10-11-19-34(28)46-39(32)45/h1-25,28,34H
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n/an/a 1.27E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231684
PNG
(3-(4-(1-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazol...)
Show SMILES COc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:38,40,t:35|
Show InChI InChI=1S/C40H30N4O3/c1-46-32-23-21-31(22-24-32)44-38(28-15-7-3-8-16-28)36(27-13-5-2-6-14-27)41-39(44)34-26-43(30-18-9-4-10-19-30)42-37(34)33-25-29-17-11-12-20-35(29)47-40(33)45/h2-26,29,35H,1H3
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n/an/a 2.54E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231683
PNG
(3-(4-(1-(4-Bromophenyl)-4,5-diphenyl-1H-imidazol-2...)
Show SMILES Brc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:37,39,t:34|
Show InChI InChI=1S/C39H27BrN4O2/c40-29-20-22-31(23-21-29)44-37(27-14-6-2-7-15-27)35(26-12-4-1-5-13-26)41-38(44)33-25-43(30-17-8-3-9-18-30)42-36(33)32-24-28-16-10-11-19-34(28)46-39(32)45/h1-25,28,34H
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n/an/a 3.44E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (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 |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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Article
PubMed
n/an/a 3.83E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231686
PNG
(3-(4-(4,5-Diphenyl-1-propyl-1H-imidazol-2-yl)-1-ph...)
Show SMILES CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:32,34,t:29|
Show InChI InChI=1S/C36H30N4O2/c1-2-22-39-34(26-16-8-4-9-17-26)32(25-14-6-3-7-15-25)37-35(39)30-24-40(28-19-10-5-11-20-28)38-33(30)29-23-27-18-12-13-21-31(27)42-36(29)41/h3-21,23-24,27,31H,2,22H2,1H3
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n/an/a 4.48E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL32


(Saccharomyces cerevisiae (Baker's yeast))		BDBM231685
PNG
(3-(4-(1-(3,5-Dimethylphenyl)-4,5-diphenyl-1H-imida...)
Show SMILES Cc1cc(C)cc(c1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1cn(nc1C1=CC2C=CC=CC2OC1=O)-c1ccccc1 |c:38,40,t:35|
Show InChI InChI=1S/C41H32N4O2/c1-27-22-28(2)24-33(23-27)45-39(30-16-8-4-9-17-30)37(29-14-6-3-7-15-29)42-40(45)35-26-44(32-19-10-5-11-20-32)43-38(35)34-25-31-18-12-13-21-36(31)47-41(34)46/h3-26,31,36H,1-2H3
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n/an/a 4.64E+4n/an/an/an/a6.837



Kinnaird College for Women



Assay Description
For α-glucosidase inhibition assay, α-glucosidase enzyme (Cat No. 5003-1KU Type I; isolated from Saccharomyces cereviciae) was used. Acarbo...

Bioorg Chem 73: 1-9 (2017)


Article DOI: 10.1016/j.bioorg.2017.05.009
BindingDB Entry DOI: 10.7270/Q2TD9W62
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%