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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Alpha-glucosidase MAL62'   
Target
(Institution)
LigandTarget
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 MAL62


(Saccharomyces cerevisiae)
BDBM50031485
PNG
((2R,3R,4R)-2-Hydroxymethyl-pyrrolidine-3,4-diol | ...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50031481
PNG
((2R,3R,4R,5R)-2,5-Bis-hydroxymethyl-pyrrolidine-3,...)
Show SMILES OC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50234562
PNG
(1,4-Dideoxy-1,4-imino-(hydroxyethyliminiumyl)-D-ar...)
Show SMILES OCCN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c9-2-1-8-3-6(11)7(12)5(8)4-10/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(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 1.10E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50242270
PNG
((2R,3R,4R,5R)-1-ethoxy-2,5-bis(hydroxymethyl)pyrro...)
Show SMILES OCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO5/c10-2-1-9-5(3-11)7(13)8(14)6(9)4-12/h5-8,10-14H,1-4H2/t5-,6-,7-,8-/m1/s1
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n/an/a 2.60E+5n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically


J Nat Prod 65: 198-202 (2002)

More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(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 4.20E+5n/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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n/an/a 2.35E+6n/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50430740
PNG
(CHEMBL2333940 | Cedryl Acetate)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@@]3(C)OC(C)=O
Show InChI InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14+,16-,17+/m1/s1
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n/an/a 9.40E+7n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50430739
PNG
(CHEMBL1974890 | Cedrol)
Show SMILES C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O
Show InChI InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
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n/an/a 1.30E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(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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PubMed
n/an/a 4.26E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50430738
PNG
(2Alpha,10Beta-Dihydroxycedryl Acetate | CHEMBL2333...)
Show SMILES CC(=O)O[C@]1(C)C[C@H](O)[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@]3(C)O
Show InChI InChI=1S/C17H28O4/c1-10(18)21-15(4)9-13(19)17-8-12(15)14(2,3)11(17)6-7-16(17,5)20/h11-13,19-20H,6-9H2,1-5H3/t11-,12-,13-,15+,16-,17+/m0/s1
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n/an/a 6.90E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(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 7.80E+8n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase using para-nitrophenyl alpha-D-glucopyranoside as substrate by spectrophotometric analysis


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(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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PubMed
4.60E+5n/an/an/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


Citation and Details
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL62


(Saccharomyces cerevisiae)
BDBM50341204
PNG
((Z)-3-butylidenephthalide | CHEMBL1765390)
Show SMILES CCC\C=C1\OC(=O)c2ccccc12
Show InChI InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8+
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4.86E+6n/an/an/an/an/an/an/an/a



Universidad Nacional Auto£?noma de Me£?xico

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase assessed as inhibition of p-nitrophenyl-alpha-D-glucopyranoside substrate hydrolysis after 35 mins by spectrosc...


Citation and Details
More data for this
Ligand-Target Pair