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PubMed code 23009660

Compile data set for download or QSAR
Found 17 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)
BDBM243068
PNG
(11-O-(3',4'-dimethoxybenzoyl)-bergenin (6))
Show SMILES COc1ccc(cc1OC)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C23H24O12/c1-30-12-5-4-9(6-13(12)31-2)22(28)33-8-14-16(25)18(27)21-20(34-14)15-10(23(29)35-21)7-11(24)19(32-3)17(15)26/h4-7,14,16,18,20-21,24-27H,8H2,1-3H3/t14-,16-,18+,20?,21?/s2
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n/an/a 2.46E+4n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243064
PNG
(11-O-benzoylbergenin (2))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccccc4)OC3c2c1O
Show InChI InChI=1/C21H20O10/c1-28-17-11(22)7-10-13(15(17)24)18-19(31-21(10)27)16(25)14(23)12(30-18)8-29-20(26)9-5-3-2-4-6-9/h2-7,12,14,16,18-19,22-25H,8H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 1.18E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243065
PNG
(11-O-p-hydroxybenzoylbergenin (3))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccc(O)cc4)OC3c2c1O
Show InChI InChI=1/C21H20O11/c1-29-17-11(23)6-10-13(15(17)25)18-19(32-21(10)28)16(26)14(24)12(31-18)7-30-20(27)8-2-4-9(22)5-3-8/h2-6,12,14,16,18-19,22-26H,7H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 1.43E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243066
PNG
(11-O-p-methoxybenzoylbergenin (4))
Show SMILES COc1ccc(cc1)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C22H22O11/c1-29-10-5-3-9(4-6-10)21(27)31-8-13-15(24)17(26)20-19(32-13)14-11(22(28)33-20)7-12(23)18(30-2)16(14)25/h3-7,13,15,17,19-20,23-26H,8H2,1-2H3/t13-,15-,17+,19?,20?/s2
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n/an/a 1.44E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243069
PNG
(11-O-vanilloylbergenin (7))
Show SMILES COc1cc(ccc1O)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C22H22O12/c1-30-12-5-8(3-4-10(12)23)21(28)32-7-13-15(25)17(27)20-19(33-13)14-9(22(29)34-20)6-11(24)18(31-2)16(14)26/h3-6,13,15,17,19-20,23-27H,7H2,1-2H3/t13-,15-,17+,19?,20?/s2
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n/an/a 1.87E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 2.78E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243067
PNG
(11-O-protocatechuoylbergenin (5))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](COC(=O)c4ccc(O)c(O)c4)OC3c2c1O
Show InChI InChI=1/C21H20O12/c1-30-17-11(24)5-8-13(15(17)26)18-19(33-21(8)29)16(27)14(25)12(32-18)6-31-20(28)7-2-3-9(22)10(23)4-7/h2-5,12,14,16,18-19,22-27H,6H2,1H3/t12-,14-,16+,18?,19?/s2
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n/an/a 2.90E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50337364
PNG
(3-methoxy-4-hydroxybenzoic acid | 4-Hydroxy-3-meth...)
Show SMILES COc1cc(ccc1O)C(O)=O
Show InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50100861
PNG
(3,4-Dihydroxybenzoate, VIII | 3,4-dihydroxybenzoic...)
Show SMILES OC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243070
PNG
(11-O-(3',5'-dimethoxybenzoyl)-bergenin (8))
Show SMILES COc1cc(OC)cc(c1)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C23H24O12/c1-30-10-4-9(5-11(6-10)31-2)22(28)33-8-14-16(25)18(27)21-20(34-14)15-12(23(29)35-21)7-13(24)19(32-3)17(15)26/h4-7,14,16,18,20-21,24-27H,8H2,1-3H3/t14-,16-,18+,20?,21?/s2
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50336487
PNG
(3,4-Dimethoxy-benzoic acid | 3,4-dimethoxybenzoic ...)
Show SMILES COc1ccc(cc1OC)C(O)=O
Show InChI InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
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n/an/a>3.00E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM26194
PNG
(4-Hydroxybenzoate, III | 4-hydroxybenzoic acid | C...)
Show SMILES OC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
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n/an/a>3.00E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243072
PNG
(Anisic acid)
Show SMILES COc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243071
PNG
(11-O-syringylbergenin (9))
Show SMILES COc1cc(cc(OC)c1O)C(=O)OC[C@H]1OC2C(OC(=O)c3cc(O)c(OC)c(O)c23)[C@@H](O)[C@@H]1O
Show InChI InChI=1/C23H24O13/c1-31-11-4-8(5-12(32-2)15(11)25)22(29)34-7-13-16(26)18(28)21-20(35-13)14-9(23(30)36-21)6-10(24)19(33-3)17(14)27/h4-6,13,16,18,20-21,24-28H,7H2,1-3H3/t13-,16-,18+,20?,21?/s2
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243063
PNG
(Bergenin (1))
Show SMILES COc1c(O)cc2C(=O)OC3[C@@H](O)[C@H](O)[C@@H](CO)OC3c2c1O
Show InChI InChI=1/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12?,13?/s2
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM197302
PNG
(Benzoic acid | SAMPL4, O1)
Show SMILES OC(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
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Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
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
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 9.08E+5n/an/an/an/a7.025



Kinki University



Assay Description
α-glucosidase (25 μL, 0.2 U/mL), 25 μL of various concentrations of samples, and 175 μL of 50 mM sodium phosphate buffer (pH 7.0)...


J Enzyme Inhib Med Chem 28: 1162-70 (2013)


Article DOI: 10.3109/14756366.2012.719503
BindingDB Entry DOI: 10.7270/Q22F7MCR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%