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Compile Data Set for Download or QSAR

Found 11 hits of ki data for polymerid = 50001962,50002890,50002967,50003223,50003260,5860   
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


(Bacillus stearothermophilus)
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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340n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
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+3n/an/an/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Mixed type inhibition of baker's yeast alpha-glucosidase by Dixon plot analysis


J Nat Prod 76: 468-83 (2013)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50203367
PNG
(CHEMBL3891396)
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1.48E+4n/an/an/an/an/an/an/an/a


TBA



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


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50018905
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-8-7-9-14(10-13)21(24)25/h7-10,17,22H,5-6H2,1-4H3
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2.50E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15...


Eur J Med Chem 95: 199-209 (2015)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50074020
PNG
(CHEMBL1099206)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OCC
Show InChI InChI=1S/C19H22N2O6/c1-5-26-18(22)15-11(3)20-12(4)16(19(23)27-6-2)17(15)13-7-9-14(10-8-13)21(24)25/h7-10,17,20H,5-6H2,1-4H3
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6.80E+4n/an/an/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl alpha-D-glucopyranoside as substrate preincubated for 15 min...


Eur J Med Chem 95: 199-209 (2015)

More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50339930
PNG
(CHEMBL1761668 | N1-((S)-1-((S)-1-amino-3-(4-hydrox...)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C36H41N5O11/c37-34(49)26(15-19-5-9-22(43)10-6-19)41-35(50)27(16-20-17-38-25-4-2-1-3-24(20)25)40-30(45)14-13-29(44)39-21-7-11-23(12-8-21)51-36-33(48)32(47)31(46)28(18-42)52-36/h1-12,17,26-28,31-33,36,38,42-43,46-48H,13-16,18H2,(H2,37,49)(H,39,44)(H,40,45)(H,41,50)/t26-,27-,28+,31+,32-,33+,36+/m0/s1
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1.10E+5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329783
PNG
(5-N,6-S-[N'-(4-Dansylamino)butyliminomethylidene]-...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C23H32N4O6S2/c1-26(2)16-9-5-8-15-14(16)7-6-10-18(15)35(32,33)25-12-4-3-11-24-23-27-17(13-34-23)19(28)20(29)21(30)22(27)31/h5-10,17,19-22,25,28-31H,3-4,11-13H2,1-2H3/b24-23-/t17-,19-,20+,21-,22-/m1/s1
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2.46E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329781
PNG
(5-N,6-S-[N'-[4-(7'-Diethylaminocoumarin-30-ylcarbo...)
Show SMILES CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C24H34N4O8S2/c1-3-27(4-2)15-8-7-14-11-18(23(33)36-17(14)12-15)38(34,35)26-10-6-5-9-25-24-28-16(13-37-24)19(29)20(30)21(31)22(28)32/h7-8,11-12,16,19-22,26,29-32H,3-6,9-10,13H2,1-2H3/b25-24-/t16-,19-,20+,21-,22-/m1/s1
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3.13E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329780
PNG
(5-N,6-S-[N'-[4-(6-Dansylaminohexanamido)butyl]imin...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H43N5O8S3/c1-32(2)21-12-8-11-20-19(21)10-9-13-23(20)44(40,41)31-16-4-3-7-17-43(38,39)30-15-6-5-14-29-28-33-22(18-42-28)24(34)25(35)26(36)27(33)37/h8-13,22,24-27,30-31,34-37H,3-7,14-18H2,1-2H3/b29-28-/t22-,24-,25+,26-,27-/m1/s1
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4.51E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)

More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50329779
PNG
(5-N,6-S-[N'-(4-Dapoxylsulfonylamino)butyliminometh...)
Show SMILES CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12
Show InChI InChI=1S/C28H35N5O7S2/c1-32(2)19-10-8-17(9-11-19)22-15-30-26(40-22)18-6-5-7-20(14-18)42(38,39)31-13-4-3-12-29-28-33-21(16-41-28)23(34)24(35)25(36)27(33)37/h5-11,14-15,21,23-25,27,31,34-37H,3-4,12-13,16H2,1-2H3/b29-28-/t21-,23-,24+,25-,27-/m1/s1
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7.14E+5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Inhibition of yeast alpha-glucosidase after 10 to 30 mins


Bioorg Med Chem 18: 7439-45 (2010)

More data for this
Ligand-Target Pair
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50339929
PNG
(CHEMBL1761667 | N1-((S)-1-((S)-1-amino-3-(4-hydrox...)
Show SMILES NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C30H31N5O6/c31-29(40)25(15-18-5-9-21(36)10-6-18)35-30(41)26(16-19-17-32-24-4-2-1-3-23(19)24)34-28(39)14-13-27(38)33-20-7-11-22(37)12-8-20/h1-12,17,25-26,32,36-37H,13-16H2,(H2,31,40)(H,33,38)(H,34,39)(H,35,41)/t25-,26-/m0/s1
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1.40E+6n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by H...


Bioorg Med Chem Lett 21: 2441-4 (2011)

More data for this
Ligand-Target Pair