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PubMed code 26362113

Compile data set for download or QSAR
Found 14 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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178004
PNG
(2-(3-((3-(trifluoromethyl)benzyl)oxy)phenyl)-4H-ch...)
Show SMILES FC(F)(F)c1ccc(c(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1)C(F)(F)F
Show InChI InChI=1S/C23H15F3O3/c24-23(25,26)17-7-3-5-15(11-17)14-28-18-8-4-6-16(12-18)22-13-20(27)19-9-1-2-10-21(19)29-22/h1-13H,14H2
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n/an/a 1.26E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA



Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178010
PNG
(2-(3-((2,3-difluorobenzyl)oxy)phenyl)-4H-chromen-4...)
Show SMILES Fc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1F
Show InChI InChI=1S/C22H14F2O3/c23-18-9-4-6-15(22(18)24)13-26-16-7-3-5-14(11-16)21-12-19(25)17-8-1-2-10-20(17)27-21/h1-12H,13H2
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n/an/a 3.49E+3n/an/an/an/a6.8n/a



Universiti Teknologi MARA



Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178004
PNG
(2-(3-((3-(trifluoromethyl)benzyl)oxy)phenyl)-4H-ch...)
Show SMILES FC(F)(F)c1ccc(c(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1)C(F)(F)F
Show InChI InChI=1S/C23H15F3O3/c24-23(25,26)17-7-3-5-15(11-17)14-28-18-8-4-6-16(12-18)22-13-20(27)19-9-1-2-10-21(19)29-22/h1-13H,14H2
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n/an/a 5.45E+3n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178007
PNG
(2-(3-((3-((trifluoromethyl)thio)benzyl)oxy)phenyl)...)
Show SMILES FC(F)(F)Sc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1
Show InChI InChI=1S/C23H15F3O3S/c24-23(25,26)30-18-8-3-5-15(11-18)14-28-17-7-4-6-16(12-17)22-13-20(27)19-9-1-2-10-21(19)29-22/h1-13H,14H2
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n/an/a 8.66E+3n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM50431165
PNG
(2-(3-hydroxyphenyl)-4H-chromen-4-one (2) | CHEMBL1...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9,16H
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n/an/a 3.47E+4n/an/an/an/a6.8n/a



Universiti Teknologi MARA



Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178008
PNG
(4-((3-(4-oxo-4H-chromen-2-yl)phenoxy)methyl)benzon...)
Show SMILES O=c1cc(oc2ccccc12)-c1cccc(OCc2ccc(cc2)C#N)c1
Show InChI InChI=1S/C23H15NO3/c24-14-16-8-10-17(11-9-16)15-26-19-5-3-4-18(12-19)23-13-21(25)20-6-1-2-7-22(20)27-23/h1-13H,15H2
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n/an/a 3.47E+4n/an/an/an/a6.8n/a



Universiti Teknologi MARA



Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178009
PNG
(2-(3-((4-methoxybenzyl)oxy)phenyl)-4H-chromen-4-on...)
Show SMILES COc1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
Show InChI InChI=1S/C23H18O4/c1-25-18-11-9-16(10-12-18)15-26-19-6-4-5-17(13-19)23-14-21(24)20-7-2-3-8-22(20)27-23/h2-14H,15H2,1H3
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n/an/a 3.54E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178002
PNG
(2-(3-((4-nitrobenzyl)oxy)phenyl)-4H-chromen-4-one ...)
Show SMILES [O-][N+](=O)c1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
Show InChI InChI=1S/C22H15NO5/c24-20-13-22(28-21-7-2-1-6-19(20)21)16-4-3-5-18(12-16)27-14-15-8-10-17(11-9-15)23(25)26/h1-13H,14H2
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n/an/a 3.64E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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 |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 3.83E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178012
PNG
(3-((3-(4-oxo-4H-chromen-2-yl)phenoxy)methyl)benzon...)
Show SMILES O=c1cc(oc2ccccc12)-c1cccc(OCc2cccc(c2)C#N)c1
Show InChI InChI=1S/C23H15NO3/c24-14-16-5-3-6-17(11-16)15-26-19-8-4-7-18(12-19)23-13-21(25)20-9-1-2-10-22(20)27-23/h1-13H,15H2
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n/an/a 3.86E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178001
PNG
((E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-...)
Show SMILES Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
Show InChI InChI=1S/C15H12O3/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10,16-17H/b9-8+
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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178005
PNG
(2-(3-((4-(tert-butyl)benzyl)oxy)phenyl)-4H-chromen...)
Show SMILES CC(C)(C)c1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
Show InChI InChI=1S/C26H24O3/c1-26(2,3)20-13-11-18(12-14-20)17-28-21-8-6-7-19(15-21)25-16-23(27)22-9-4-5-10-24(22)29-25/h4-16H,17H2,1-3H3
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n/an/a 4.95E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178003
PNG
(2-(3-(benzyloxy)phenyl)-4H-chromen-4-one (4))
Show SMILES O=c1cc(oc2ccccc12)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H16O3/c23-20-14-22(25-21-12-5-4-11-19(20)21)17-9-6-10-18(13-17)24-15-16-7-2-1-3-8-16/h1-14H,15H2
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n/an/a 5.97E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))		BDBM178011
PNG
(2-(3-((3-methylbenzyl)oxy)phenyl)-4H-chromen-4-one...)
Show SMILES Cc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1
Show InChI InChI=1S/C23H18O3/c1-16-6-4-7-17(12-16)15-25-19-9-5-8-18(13-19)23-14-21(24)20-10-2-3-11-22(20)26-23/h2-14H,15H2,1H3
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n/an/a 8.87E+4n/an/an/an/a6.8n/a



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Assay Description
The α-glucosidase inhibition assay had been carried out using baker¿s yeast a-glucosidase (EC 3.2.1.20) and p-nitrophenyl-α-D-glucopyranosi...

Chem Biol Drug Des 87: 361-73 (2016)


Article DOI: 10.1111/cbdd.12666
BindingDB Entry DOI: 10.7270/Q2HQ3XPS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%