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PubMed code 26964016

Compile data set for download or QSAR
Found 18 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 MAL12


(Saccharomyces cerevisiae)
BDBM181062
PNG
((E)-N'-(3,5-Dichloro-2-hydroxybenzylidene)-4-(...)
Show SMILES Oc1c(Cl)cc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H11Cl2N3O4S/c21-12-5-11(17(26)14(22)7-12)8-23-25-18(27)19-24-15(9-30-19)13-6-10-3-1-2-4-16(10)29-20(13)28/h1-9,26H,(H,25,27)/b23-8+
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n/an/a 6.24E+3n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181064
PNG
((E)-N'-(5-Chloro-2-hydroxybenzylidene)-4-(2-ox...)
Show SMILES Oc1ccc(Cl)cc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H12ClN3O4S/c21-13-5-6-16(25)12(7-13)9-22-24-18(26)19-23-15(10-29-19)14-8-11-3-1-2-4-17(11)28-20(14)27/h1-10,25H,(H,24,26)/b22-9+
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n/an/a 8.23E+3n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181061
PNG
((E)-N'-(3,5-Di-tert-butyl-2-hydroxybenzylidene...)
Show SMILES CC(C)(C)c1cc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c(c1)C(C)(C)C
Show InChI InChI=1S/C28H29N3O4S/c1-27(2,3)18-11-17(23(32)20(13-18)28(4,5)6)14-29-31-24(33)25-30-21(15-36-25)19-12-16-9-7-8-10-22(16)35-26(19)34/h7-15,32H,1-6H3,(H,31,33)/b29-14+
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n/an/a 1.02E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181068
PNG
((E)-N'-(4-Chlorobenzylidene)-4-(2-oxo-2H-chrom...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H12ClN3O3S/c21-14-7-5-12(6-8-14)10-22-24-18(25)19-23-16(11-28-19)15-9-13-3-1-2-4-17(13)27-20(15)26/h1-11H,(H,24,25)/b22-10+
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n/an/a 1.06E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181069
PNG
((E)-N'-(3-Chlorobenzylidene)-4-(2-oxo-2H-chrom...)
Show SMILES Clc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H12ClN3O3S/c21-14-6-3-4-12(8-14)10-22-24-18(25)19-23-16(11-28-19)15-9-13-5-1-2-7-17(13)27-20(15)26/h1-11H,(H,24,25)/b22-10+
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n/an/a 1.20E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181073
PNG
((E)-N'-(3-bromobenzylidene)-4-(2-oxo-2H-chrome...)
Show SMILES Brc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H12BrN3O3S/c21-14-6-3-4-12(8-14)10-22-24-18(25)19-23-16(11-28-19)15-9-13-5-1-2-7-17(13)27-20(15)26/h1-11H,(H,24,25)/b22-10+
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n/an/a 1.40E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181070
PNG
((E)-4-(2-Oxo-2H-chromen-3-yl)-N'-(4-(trifluoro...)
Show SMILES FC(F)(F)c1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C21H12F3N3O3S/c22-21(23,24)14-7-5-12(6-8-14)10-25-27-18(28)19-26-16(11-31-19)15-9-13-3-1-2-4-17(13)30-20(15)29/h1-11H,(H,27,28)/b25-10+
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n/an/a 1.60E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181063
PNG
((E)-N'-(3-Fluoro-4-hydroxybenzylidene)-4-(2-ox...)
Show SMILES Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1F
Show InChI InChI=1S/C20H12FN3O4S/c21-14-7-11(5-6-16(14)25)9-22-24-18(26)19-23-15(10-29-19)13-8-12-3-1-2-4-17(12)28-20(13)27/h1-10,25H,(H,24,26)/b22-9+
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n/an/a 1.66E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181067
PNG
((E)-N'-(3,4-Dihydroxybenzylidene)-4-(2-oxo-2H-...)
Show SMILES Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1O
Show InChI InChI=1S/C20H13N3O5S/c24-15-6-5-11(7-16(15)25)9-21-23-18(26)19-22-14(10-29-19)13-8-12-3-1-2-4-17(12)28-20(13)27/h1-10,24-25H,(H,23,26)/b21-9+
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n/an/a 1.83E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM60591
PNG
((E)-N'-(3-Fluorobenzylidene)-4-(2-oxo-2H-chromen-3...)
Show SMILES Fc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C20H12FN3O3S/c21-14-6-3-4-12(8-14)10-22-24-18(25)19-23-16(11-28-19)15-9-13-5-1-2-7-17(13)27-20(15)26/h1-11H,(H,24,25)/b22-10+
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n/an/a 2.26E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181071
PNG
((E)-N'-(2-Fluorobenzylidene)-4-(2-oxo-2H-chrom...)
Show SMILES Fc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H12FN3O3S/c21-15-7-3-1-6-13(15)10-22-24-18(25)19-23-16(11-28-19)14-9-12-5-2-4-8-17(12)27-20(14)26/h1-11H,(H,24,25)/b22-10+
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n/an/a 2.36E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181060
PNG
((E)-N'-(4-Hydroxybenzylidene)-4-(2-oxo-2H-chro...)
Show SMILES Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C20H13N3O4S/c24-14-7-5-12(6-8-14)10-21-23-18(25)19-22-16(11-28-19)15-9-13-3-1-2-4-17(13)27-20(15)26/h1-11,24H,(H,23,25)/b21-10+
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n/an/a 2.52E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181065
PNG
((E)-N'-(2-Hydroxy-4-methoxybenzylidene)-4-(2-o...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c1
Show InChI InChI=1S/C21H15N3O5S/c1-28-14-7-6-13(17(25)9-14)10-22-24-19(26)20-23-16(11-30-20)15-8-12-4-2-3-5-18(12)29-21(15)27/h2-11,25H,1H3,(H,24,26)/b22-10+
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n/an/a 2.99E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181059
PNG
((E)-N'-(2-Hydroxybenzylidene)-4-(2-oxo-2H-chro...)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H13N3O4S/c24-16-7-3-1-6-13(16)10-21-23-18(25)19-22-15(11-28-19)14-9-12-5-2-4-8-17(12)27-20(14)26/h1-11,24H,(H,23,25)/b21-10+
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n/an/a 3.72E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181066
PNG
((E)-N'-(2,4-Dihydroxybenzylidene)-4-(2-oxo-2H-...)
Show SMILES Oc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c(O)c1
Show InChI InChI=1S/C20H13N3O5S/c24-13-6-5-12(16(25)8-13)9-21-23-18(26)19-22-15(10-29-19)14-7-11-3-1-2-4-17(11)28-20(14)27/h1-10,24-25H,(H,23,26)/b21-9+
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n/an/a 3.86E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
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 4.33E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181074
PNG
((E)-N'-(2-Methoxybenzylidene)-4-(2-oxo-2H-chro...)
Show SMILES COc1ccccc1\C=N\NC(=O)c1nc(cs1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C21H15N3O4S/c1-27-17-8-4-3-7-14(17)11-22-24-19(25)20-23-16(12-29-20)15-10-13-6-2-5-9-18(13)28-21(15)26/h2-12H,1H3,(H,24,25)/b22-11+
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n/an/a 6.43E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM181058
PNG
((E)-N'-(4-Methoxybenzylidene)-4-(2-oxo-2H-chro...)
Show SMILES COc1ccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C21H15N3O4S/c1-27-15-8-6-13(7-9-15)11-22-24-19(25)20-23-17(12-29-20)16-10-14-4-2-3-5-18(14)28-21(16)26/h2-12H,1H3,(H,24,25)/b22-11+
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n/an/a 8.17E+4n/an/an/an/a6.8n/a



Jishou University



Assay Description
The test compounds were dissolved in DMSO to prepare the required distributing concentration. α-Glucosidase inhibitory activity was assayed by u...


Bioorg Chem 65: 167-74 (2016)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2445K8R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%