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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with Target = 'Alpha-amylase' AND taxid = 9606   
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-Amylase


(Homo sapiens (human))
BDBM50120853
PNG
(CHEMBL3618492)
Show SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](OC[C@H]3OC4(NC(=S)NC4=O)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[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=1/C27H43N3O18S/c1-6-11(28-8-2-7(3-31)12(33)16(37)13(8)34)15(36)19(40)24(45-6)47-21-9(4-32)46-23(20(41)17(21)38)44-5-10-14(35)18(39)22(42)27(48-10)25(43)29-26(49)30-27/h2,6,8-24,28,31-42H,3-5H2,1H3,(H2,29,30,43,49)/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19-,20-,21-,22-,23+,24-,27?/s2
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190n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120849
PNG
(CHEMBL3618490)
Show SMILES CC1OC(OC2C(CO)OC(OC3C(O)C(O)C(NC4C(C)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C=C3CO)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
Show InChI InChI=1/C38H64N2O25/c1-9-17(39-13-3-11(5-41)19(45)24(50)20(13)46)22(48)30(56)37(60-9)65-34-16(8-44)62-38(31(57)27(34)53)63-32-12(6-42)4-14(21(47)25(32)51)40-18-10(2)59-36(29(55)23(18)49)64-33-15(7-43)61-35(58)28(54)26(33)52/h3-4,9-10,13-58H,5-8H2,1-2H3
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700n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
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 500n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
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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Article
PubMed
n/an/a 996n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50241052
PNG
(1,2,3,4,6-Pgg | 1,2,3,4,6-pentakis-O-(3,4,5-trihyd...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1
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n/an/a 2.35E+3n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate assessed as CNP liberation by spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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Article
PubMed
n/an/a 9.64E+3n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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PubMed
n/an/a 1.02E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.84E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
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PubMed
n/an/a 1.96E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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PubMed
n/an/a 2.14E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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Article
PubMed
n/an/a 3.02E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
alpha-Amylase


(Homo sapiens (human))
BDBM50120845
PNG
(CHEMBL3618485)
Show SMILES COc1ccc(Nc2nc(cs2)-c2ccccc2O)cc1
Show InChI InChI=1S/C16H14N2O2S/c1-20-12-8-6-11(7-9-12)17-16-18-14(10-21-16)13-4-2-3-5-15(13)19/h2-10,19H,1H3,(H,17,18)
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n/an/a 4.00E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23412
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
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PubMed
n/an/a 4.80E+4n/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120834
PNG
(CHEMBL2011396)
Show SMILES Oc1ccc(Cl)cc1\C=C1/SC(=O)N(Cc2cccc(c2)[N+]([O-])=O)C1=O
Show InChI InChI=1S/C17H11ClN2O5S/c18-12-4-5-14(21)11(7-12)8-15-16(22)19(17(23)26-15)9-10-2-1-3-13(6-10)20(24)25/h1-8,21H,9H2/b15-8-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120835
PNG
(CHEMBL2011401)
Show SMILES OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccccc2O)C1=O
Show InChI InChI=1S/C17H11NO4S2/c19-13-7-2-1-4-10(13)9-14-15(20)18(17(23)24-14)12-6-3-5-11(8-12)16(21)22/h1-9,19H,(H,21,22)/b14-9-
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n/an/a 6.20E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120831
PNG
(CHEMBL3618482)
Show SMILES CN(C)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C17H17N3O2S/c1-20(2)12-5-3-11(4-6-12)18-17-19-15(10-23-17)14-8-7-13(21)9-16(14)22/h3-10,21-22H,1-2H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120832
PNG
(CHEMBL3618483)
Show SMILES CC(=O)c1cccc(Nc2nc(cs2)-c2ccc(O)cc2O)c1
Show InChI InChI=1S/C17H14N2O3S/c1-10(20)11-3-2-4-12(7-11)18-17-19-15(9-23-17)14-6-5-13(21)8-16(14)22/h2-9,21-22H,1H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50293578
PNG
(4-(2-(4-Hydroxyphenylamino)thiazol-4-yl)benzene-1,...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H12N2O3S/c18-10-3-1-9(2-4-10)16-15-17-13(8-21-15)12-6-5-11(19)7-14(12)20/h1-8,18-20H,(H,16,17)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50293573
PNG
(4-(4-(2,4-dihydroxyphenyl)thiazol-2-ylamino)benzen...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C15H13N3O4S2/c16-24(21,22)11-4-1-9(2-5-11)17-15-18-13(8-23-15)12-6-3-10(19)7-14(12)20/h1-8,19-20H,(H,17,18)(H2,16,21,22)
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n/an/a 1.65E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120823
PNG
(CHEMBL1904421)
Show SMILES Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)ccc3O)c2O)c1
Show InChI InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120836
PNG
(CHEMBL572150)
Show SMILES COc1cc(Br)cc(\C=C2\SC(Nc3cccc(c3)C(O)=O)=NC2=O)c1O
Show InChI InChI=1S/C18H13BrN2O5S/c1-26-13-8-11(19)5-10(15(13)22)7-14-16(23)21-18(27-14)20-12-4-2-3-9(6-12)17(24)25/h2-8,22H,1H3,(H,24,25)(H,20,21,23)/b14-7+
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n/an/a 2.60E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120846
PNG
(CHEMBL3618486)
Show SMILES Nc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H11Cl2N3S/c16-9-1-6-12(13(17)7-9)14-8-21-15(20-14)19-11-4-2-10(18)3-5-11/h1-8H,18H2,(H,19,20)
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n/an/a 2.70E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120824
PNG
(CHEMBL3618478)
Show SMILES COc1cccc(C2NC(C([N+]([O-])=O)C(C)(C)C2[N+]([O-])=O)c2cccc(OC)c2O)c1O
Show InChI InChI=1/C21H25N3O8/c1-21(2)19(23(27)28)15(11-7-5-9-13(31-3)17(11)25)22-16(20(21)24(29)30)12-8-6-10-14(32-4)18(12)26/h5-10,15-16,19-20,22,25-26H,1-4H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120826
PNG
(CHEMBL1510984)
Show SMILES COc1cccc(NC(=N)Nc2nc(O)cc(CSc3ccccn3)n2)c1
Show InChI InChI=1S/C18H18N6O2S/c1-26-14-6-4-5-12(9-14)21-17(19)24-18-22-13(10-15(25)23-18)11-27-16-7-2-3-8-20-16/h2-10H,11H2,1H3,(H4,19,21,22,23,24,25)
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n/an/a 3.30E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120830
PNG
(CHEMBL599385)
Show SMILES OC(=O)c1cc(Nc2nc(cs2)-c2ccc(O)cc2O)ccc1O
Show InChI InChI=1S/C16H12N2O5S/c19-9-2-3-10(14(21)6-9)12-7-24-16(18-12)17-8-1-4-13(20)11(5-8)15(22)23/h1-7,19-21H,(H,17,18)(H,22,23)
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n/an/a 4.23E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50293577
PNG
(4-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol | C...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H12N2O2S/c18-12-5-1-10(2-6-12)14-9-20-15(17-14)16-11-3-7-13(19)8-4-11/h1-9,18-19H,(H,16,17)
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n/an/a 4.92E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120829
PNG
(CHEMBL596726)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1O
Show InChI InChI=1S/C16H12N2O5S/c19-9-2-4-10(14(21)6-9)12-7-24-16(18-12)17-8-1-3-11(15(22)23)13(20)5-8/h1-7,19-21H,(H,17,18)(H,22,23)
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n/an/a 6.42E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120828
PNG
(CHEMBL590969)
Show SMILES OC(=O)c1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C16H12N2O4S/c19-11-5-6-12(14(20)7-11)13-8-23-16(18-13)17-10-3-1-9(2-4-10)15(21)22/h1-8,19-20H,(H,17,18)(H,21,22)
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n/an/a 6.80E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120837
PNG
(CHEMBL3618484)
Show SMILES CC(=O)N1CCN(CC1)C1=NC(=O)\C(S1)=C/c1ccccc1O
Show InChI InChI=1S/C16H17N3O3S/c1-11(20)18-6-8-19(9-7-18)16-17-15(22)14(23-16)10-12-4-2-3-5-13(12)21/h2-5,10,21H,6-9H2,1H3/b14-10+
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n/an/a 7.00E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50051863
PNG
(CHEMBL1081479)
Show SMILES Cc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H14N2OS/c1-11-2-4-12(5-3-11)15-10-20-16(18-15)17-13-6-8-14(19)9-7-13/h2-10,19H,1H3,(H,17,18)
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n/an/a 7.35E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120827
PNG
(CHEMBL3618481)
Show SMILES C\C(=N/NC(=O)CCC(=O)Nc1ccccc1C)c1ccc(O)cc1O
Show InChI InChI=1S/C19H21N3O4/c1-12-5-3-4-6-16(12)20-18(25)9-10-19(26)22-21-13(2)15-8-7-14(23)11-17(15)24/h3-8,11,23-24H,9-10H2,1-2H3,(H,20,25)(H,22,26)/b21-13+
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n/an/a 8.50E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120825
PNG
(CHEMBL3618480)
Show SMILES CC(O)CNCCNCc1ccc(o1)-c1ccccc1F
Show InChI InChI=1/C16H21FN2O2/c1-12(20)10-18-8-9-19-11-13-6-7-16(21-13)14-4-2-3-5-15(14)17/h2-7,12,18-20H,8-11H2,1H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50312869
PNG
(4-(4-(4-chlorophenyl)thiazol-2-ylamino)phenol | CH...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H11ClN2OS/c16-11-3-1-10(2-4-11)14-9-20-15(18-14)17-12-5-7-13(19)8-6-12/h1-9,19H,(H,17,18)
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n/an/a 1.04E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50293576
PNG
(4-(4-phenylthiazol-2-ylamino)phenol | 4131JH0380 |...)
Show SMILES Oc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H12N2OS/c18-13-8-6-12(7-9-13)16-15-17-14(10-19-15)11-4-2-1-3-5-11/h1-10,18H,(H,16,17)
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n/an/a 1.27E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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n/an/a 1.40E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using rice starch as substrate after 12 mins by microplate reader analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50120833
PNG
(CHEMBL600247)
Show SMILES Cc1[nH]nc(c1Oc1ccc(cc1)C(O)=O)-c1ccc(O)cc1O
Show InChI InChI=1S/C17H14N2O5/c1-9-16(24-12-5-2-10(3-6-12)17(22)23)15(19-18-9)13-7-4-11(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)(H,22,23)
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n/an/a 4.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM50161650
PNG
(4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYP...)
Show SMILES CCc1cc(-c2n[nH]c(C(O)=O)c2-c2ccc3OCOc3c2)c(O)cc1O
Show InChI InChI=1S/C19H16N2O6/c1-2-9-5-11(13(23)7-12(9)22)17-16(18(19(24)25)21-20-17)10-3-4-14-15(6-10)27-8-26-14/h3-7,22-23H,2,8H2,1H3,(H,20,21)(H,24,25)
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n/an/a 4.00E+6n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis


Bioorg Med Chem 23: 6725-32 (2015)

More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23418
PNG
((2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3...)
Show SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1
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Article
PubMed
n/an/an/an/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23417
PNG
((-)-Epicatechin | (2R,3R)-2-(3,4-dihydroxyphenyl)-...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23416
PNG
((+)-Catechin | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23409
PNG
(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23414
PNG
(5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chr...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23413
PNG
(5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1
Show InChI InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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n/an/an/an/an/an/an/a6.022



Nestle Research Center



Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair
alpha-Amylase


(Homo sapiens (human))
BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
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n/an/an/an/an/an/an/a6.022



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Assay Description
The assay was carried out at room temperature for 10 min with salivary alpha-amylase, starch, and test compounds. The reducing sugar was determined b...


Citation and Details
More data for this
Ligand-Target Pair