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Compile Data Set for Download or QSAR

Found 104 hits of ic50 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)
BDBM152497
PNG
((E)-N'-(6-Bromo-2-oxoindolin-3-ylidene)-2-(2,4...)
Show SMILES Clc1ccc(CC(=O)N\N=C2\C(=O)Nc3cc(Br)ccc23)c(Cl)c1
Show InChI InChI=1S/C16H10BrCl2N3O2/c17-9-2-4-11-13(6-9)20-16(24)15(11)22-21-14(23)5-8-1-3-10(18)7-12(8)19/h1-4,6-7H,5H2,(H,21,23)(H,20,22,24)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hazara University



Assay Description
10 無 of test samples (5 mg/mL DMSO solution) were reconstituted in 100 無 of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...


Bioorg Chem 60: 42-8 (2015)

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


(Saccharomyces cerevisiae)
BDBM152499
PNG
((E)-N'-(2-oxoindolin-3-ylidene)dodecanehydrazi...)
Show SMILES CCCCCCCCCCCC(=O)N\N=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C20H29N3O2/c1-2-3-4-5-6-7-8-9-10-15-18(24)22-23-19-16-13-11-12-14-17(16)21-20(19)25/h11-14H,2-10,15H2,1H3,(H,22,24)(H,21,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Hazara University



Assay Description
10 無 of test samples (5 mg/mL DMSO solution) were reconstituted in 100 無 of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...


Bioorg Chem 60: 42-8 (2015)

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


(Saccharomyces cerevisiae)
BDBM152496
PNG
((E)-N'-(6-bromo-2-oxoindolin-3-ylidene)-2-(3,4...)
Show SMILES Clc1ccc(CC(=O)N\N=C2\C(=O)Nc3cc(Br)ccc23)cc1Cl
Show InChI InChI=1S/C16H10BrCl2N3O2/c17-9-2-3-10-13(7-9)20-16(24)15(10)22-21-14(23)6-8-1-4-11(18)12(19)5-8/h1-5,7H,6H2,(H,21,23)(H,20,22,24)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Hazara University



Assay Description
10 無 of test samples (5 mg/mL DMSO solution) were reconstituted in 100 無 of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...


Bioorg Chem 60: 42-8 (2015)

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


(Saccharomyces cerevisiae)
BDBM50308256
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-cyclohexene-1...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2=CCCCC2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C17H25N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h7,9,13-16H,4-6,8,10H2,1-3H3/t13-,14-,15-,16-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)

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


(Saccharomyces cerevisiae)
BDBM50308259
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxycyc...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)C2(O)CCCCC2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C17H27N3O5/c1-16(2)24-13-11(23-15(22-3)14(13)25-16)9-20-10-12(18-19-20)17(21)7-5-4-6-8-17/h10-11,13-15,21H,4-9H2,1-3H3/t11-,13-,14-,15-/m1/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)

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


(Saccharomyces cerevisiae)
BDBM50308258
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-phenoxymethyl...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(COc3ccccc3)nn2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C18H23N3O5/c1-18(2)25-15-14(24-17(22-3)16(15)26-18)10-21-9-12(19-20-21)11-23-13-7-5-4-6-8-13/h4-9,14-17H,10-11H2,1-3H3/t14-,15-,16-,17-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)

More data for this
Ligand-Target Pair
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/an/an/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)

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/an/an/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)

More data for this
Ligand-Target Pair
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)
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=1/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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n/an/a 9.60E+3n/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 25蚓 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)
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/an/an/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)

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/an/an/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)

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


(Saccharomyces cerevisiae)
BDBM152498
PNG
((E)-N'-(6-bromo-2-oxoindolin-3-ylidene)-2- hyd...)
Show SMILES Oc1ccccc1C(=O)N\N=C1\C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C15H10BrN3O3/c16-8-5-6-9-11(7-8)17-15(22)13(9)18-19-14(21)10-3-1-2-4-12(10)20/h1-7,20H,(H,19,21)(H,17,18,22)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Hazara University



Assay Description
10 無 of test samples (5 mg/mL DMSO solution) were reconstituted in 100 無 of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...


Bioorg Chem 60: 42-8 (2015)

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/an/an/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)

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/an/an/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)

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)
BDBM50308255
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-phenyl-1H-1,2...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(nn2)-c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C17H21N3O4/c1-17(2)23-14-13(22-16(21-3)15(14)24-17)10-20-9-12(18-19-20)11-7-5-4-6-8-11/h4-9,13-16H,10H2,1-3H3/t13-,14-,15-,16-/m1/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)

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


(Saccharomyces cerevisiae)
BDBM50308257
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-(4-carboxylate e...)
Show SMILES CCOC(=O)c1cn(C[C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)nn1
Show InChI InChI=1S/C14H21N3O6/c1-5-20-12(18)8-6-17(16-15-8)7-9-10-11(13(19-4)21-9)23-14(2,3)22-10/h6,9-11,13H,5,7H2,1-4H3/t9-,10-,11-,13-/m1/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (2010)

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/an/an/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)

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/an/an/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)

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/an/an/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)

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


(Saccharomyces cerevisiae)
BDBM152494
PNG
((E)-2-(2,4-dichlorophenyl)-N'-(2-oxo-1-propyli...)
Show SMILES CCCN1C(=O)\C(=N\NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc12
Show InChI InChI=1S/C19H17Cl2N3O2/c1-2-9-24-16-6-4-3-5-14(16)18(19(24)26)23-22-17(25)10-12-7-8-13(20)11-15(12)21/h3-8,11H,2,9-10H2,1H3,(H,22,25)/b23-18+
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n/an/a 1.83E+4n/an/an/an/an/an/a



Hazara University



Assay Description
10 無 of test samples (5 mg/mL DMSO solution) were reconstituted in 100 無 of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...


Bioorg Chem 60: 42-8 (2015)

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)
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)
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/an/an/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)

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/an/an/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)

More data for this
Ligand-Target Pair
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/an/an/a



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)

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


(Saccharomyces cerevisiae)
BDBM50308260
PNG
(1-O-Methyl-2,3-O-isopropylidene-5-[4-(tetrahydro-2...)
Show SMILES CO[C@@H]1O[C@H](Cn2cc(COC3CCCCO3)nn2)[C@H]2OC(C)(C)O[C@@H]12
Show InChI InChI=1S/C17H27N3O6/c1-17(2)25-14-12(24-16(21-3)15(14)26-17)9-20-8-11(18-19-20)10-23-13-6-4-5-7-22-13/h8,12-16H,4-7,9-10H2,1-3H3/t12-,13?,14-,15-,16-/m1/s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry


J Med Chem 53: 2364-75 (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=1/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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n/an/a 2.51E+4n/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 25蚓 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)
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/an/an/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)

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)
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)
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)
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/an/an/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)

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


(Saccharomyces cerevisiae)
BDBM50180587
PNG
(CHEMBL3734896)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1/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
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n/an/a 3.39E+4n/an/an/an/an/an/a



National Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 using 4-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 30 mins followed by substrate a...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM50207546
PNG
((-)-epivaliolamine | CHEMBL223096)
Show SMILES N[C@@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4+,5-,6+,7+/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of baker's yeast alpha-glucosidase


J Nat Prod 70: 493-7 (2007)

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/an/an/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)

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


(Saccharomyces cerevisiae)
BDBM50333465
PNG
((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...)
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)O[C@@H](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 3.83E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology, Lahore 54000, Pakistan



Assay Description
Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...


Bioorg Chem 54: 96-104 (2014)

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/an/an/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)

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)
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)
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 4.33E+4n/an/an/an/an/an/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)

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)
BDBM50190320
PNG
(CHEMBL3827545)
Show SMILES Cc1ccc(cc1)-c1ccnc2nnnn12
Show InChI InChI=1S/C11H9N5/c1-8-2-4-9(5-3-8)10-6-7-12-11-13-14-15-16(10)11/h2-7H,1H3
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n/an/a 4.98E+4n/an/an/an/an/an/a



National Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase MAL12 using 4-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 30 mins followed by substrate a...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM84973
PNG
(Urea derivative, 17)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(NC(=O)Nc3ccccc3)cc2)c1
Show InChI InChI=1S/C21H18N2O3/c24-19-12-16(13-20(25)14-19)7-6-15-8-10-18(11-9-15)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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n/an/a 5.88E+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)
BDBM84971
PNG
(Urea derivative, 15)
Show SMILES COc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)cc3)cc2)cc1
Show InChI InChI=1S/C22H20N2O3/c1-27-21-14-10-19(11-15-21)24-22(26)23-18-8-4-16(5-9-18)2-3-17-6-12-20(25)13-7-17/h2-15,25H,1H3,(H2,23,24,26)/b3-2+
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n/an/a 6.01E+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)
BDBM84965
PNG
(Urea derivative, 9)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C22H20N2O3/c1-15-2-9-18(10-3-15)23-22(27)24-19-11-6-16(7-12-19)4-5-17-8-13-20(25)21(26)14-17/h2-14,25-26H,1H3,(H2,23,24,27)/b5-4+
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n/an/a 6.36E+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)
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/an/an/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)

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


(Saccharomyces cerevisiae)
BDBM84975
PNG
(Urea derivative, 19)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)c1
Show InChI InChI=1S/C21H16F2N2O3/c22-15-5-8-20(19(23)11-15)25-21(28)24-16-6-3-13(4-7-16)1-2-14-9-17(26)12-18(27)10-14/h1-12,26-27H,(H2,24,25,28)/b2-1+
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n/an/a 6.43E+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
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