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Compile Data Set for Download or QSAR

Found 16 hits of ki data for polymerid = 4995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84968
PNG
(Urea derivative, 12)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1O
Show InChI InChI=1S/C21H16F2N2O3/c22-15-6-9-18(17(23)12-15)25-21(28)24-16-7-3-13(4-8-16)1-2-14-5-10-19(26)20(27)11-14/h1-12,26-27H,(H2,24,25,28)/b2-1+
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3.20E+3n/a 8.40E+3n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84969
PNG
(Urea derivative, 13)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1O
Show InChI InChI=1S/C21H17ClN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+
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4.60E+3n/a 1.43E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84967
PNG
(Urea derivative, 11)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1O
Show InChI InChI=1S/C21H17FN2O3/c22-16-6-10-18(11-7-16)24-21(27)23-17-8-3-14(4-9-17)1-2-15-5-12-19(25)20(26)13-15/h1-13,25-26H,(H2,23,24,27)/b2-1+
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7.20E+3n/a 1.98E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84972
PNG
(Urea derivative, 16)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1
Show InChI InChI=1S/C21H16F2N2O2/c22-16-7-12-20(19(23)13-16)25-21(27)24-17-8-3-14(4-9-17)1-2-15-5-10-18(26)11-6-15/h1-13,26H,(H2,24,25,27)/b2-1+
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9.40E+3n/a 1.85E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84963
PNG
(Urea derivative, 7)
Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O4/c1-28-19-11-9-18(10-12-19)24-22(27)23-17-7-4-15(5-8-17)2-3-16-6-13-20(25)21(26)14-16/h2-14,25-26H,1H3,(H2,23,24,27)/b3-2+
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1.05E+4n/a 1.95E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84962
PNG
(Urea derivative, 6)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1O
Show InChI InChI=1S/C21H18N2O3/c24-19-13-10-16(14-20(19)25)7-6-15-8-11-18(12-9-15)23-21(26)22-17-4-2-1-3-5-17/h1-14,24-25H,(H2,22,23,26)/b7-6+
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1.06E+4n/a 4.21E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84966
PNG
(Urea derivative, 10)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)cc1O
Show InChI InChI=1S/C22H17F3N2O3/c23-22(24,25)16-6-10-18(11-7-16)27-21(30)26-17-8-3-14(4-9-17)1-2-15-5-12-19(28)20(29)13-15/h1-13,28-29H,(H2,26,27,30)/b2-1+
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1.21E+4n/a 2.88E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243075
PNG
(α-Gl inhibitor, C3)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1c2[nH]c(=O)[nH]c(=O)c2C(C(O)C(O)C(O)C(O)CO)c2c1[nH]c(=O)[nH]c2=O
Show InChI InChI=1S/C26H26N6O11S/c27-10-1-5-12(6-2-10)44(42,43)13-7-3-11(4-8-13)32-21-16(23(38)30-25(40)28-21)15(17-22(32)29-26(41)31-24(17)39)19(36)20(37)18(35)14(34)9-33/h1-8,14-15,18-20,33-37H,9,27H2,(H2,28,30,38,40)(H2,29,31,39,41)
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1.40E+4n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84970
PNG
(Urea derivative, 14)
Show SMILES Oc1ccc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H18N2O2/c24-20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)23-21(25)22-18-4-2-1-3-5-18/h1-15,24H,(H2,22,23,25)/b7-6+
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1.70E+4n/a 2.91E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

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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1.80E+4n/a 3.95E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2.15E+4n/a 2.64E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243074
PNG
(α-Gl inhibitor, C2)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(Br)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C20H20BrN5O9/c21-6-1-3-7(4-2-6)26-15-10(17(32)24-19(34)22-15)9(11-16(26)23-20(35)25-18(11)33)13(30)14(31)12(29)8(28)5-27/h1-4,8-9,12-14,27-31H,5H2,(H2,22,24,32,34)(H2,23,25,33,35)
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3.00E+4n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84959
PNG
(Stilbene derivative, 2)
Show SMILES Nc1ccc(\C=C\c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C14H13NO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,16-17H,15H2/b2-1+
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3.51E+4n/a 4.64E+4n/an/an/an/an/an/a



Gyeongsang National University



Assay Description
All enzymatic activities were determined by using the appropriate substrate (p-nitrophenyl-alpha-D-glucopyranoside, p-nitrophenyl-beta-D-gulcopyranos...


Chembiochem 11: 2125-31 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C20H21N5O10/c26-5-8(28)12(29)14(31)13(30)9-10-15(21-19(34)23-17(10)32)25(6-1-3-7(27)4-2-6)16-11(9)18(33)24-20(35)22-16/h1-4,8-9,12-14,26-31H,5H2,(H2,21,23,32,34)(H2,22,24,33,35)
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7.00E+4n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243074
PNG
(α-Gl inhibitor, C2)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(Br)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C20H20BrN5O9/c21-6-1-3-7(4-2-6)26-15-10(17(32)24-19(34)22-15)9(11-16(26)23-20(35)25-18(11)33)13(30)14(31)12(29)8(28)5-27/h1-4,8-9,12-14,27-31H,5H2,(H2,22,24,32,34)(H2,23,25,33,35)
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1.30E+5n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM243073
PNG
(α-Gl inhibitor, C1)
Show SMILES OCC(O)C(O)C(O)C(O)C1c2c([nH]c(=O)[nH]c2=O)N(c2ccc(O)cc2)c2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C20H21N5O10/c26-5-8(28)12(29)14(31)13(30)9-10-15(21-19(34)23-17(10)32)25(6-1-3-7(27)4-2-6)16-11(9)18(33)24-20(35)22-16/h1-4,8-9,12-14,26-31H,5H2,(H2,21,23,32,34)(H2,22,24,33,35)
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1.70E+5n/an/an/an/an/an/an/an/a



Shiraz University



Assay Description
In this study, the inhibition assay of yeast enzyme was performed in 100 mM phosphate buffer pH 7.0 at 25C with minor changes, according to the meth...


J Enzyme Inhib Med Chem 28: 1228-35 (2013)

More data for this
Ligand-Target Pair