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PubMed code 24880489

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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 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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PC sid
PDB
UniChem

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Article
PubMed
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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112646
PNG
(Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4- t...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(C)cc1
Show InChI InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19)
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PubMed
n/an/a 1.12E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112652
PNG
(()2,6-Methano-4-oxo-3,4,5,6-tetrahydro-2H- [1,3,5...)
Show SMILES CCOC(=O)[C@H]1[C@@H]2NC(=O)NC1(C)Oc1ccccc21
Show InChI InChI=1S/C14H16N2O4/c1-3-19-12(17)10-11-8-6-4-5-7-9(8)20-14(10,2)16-13(18)15-11/h4-7,10-11H,3H2,1-2H3,(H2,15,16,18)/t10-,11-,14?/m1/s1
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n/an/a 1.22E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112651
PNG
(Ethyl 6-methyl-4-(4-methylphenyl)-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1ccc(C)cc1
Show InChI InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(3)16-15(20)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,20)
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PubMed
n/an/a 1.25E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112642
PNG
(Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccccc1
Show InChI InChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18)
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n/an/a 1.43E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112643
PNG
(Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4- t...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O3/c1-3-20-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(15)7-5-9/h4-7,11-12H,3H2,1-2H3,(H,17,19)
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PubMed
n/an/a 2.13E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112645
PNG
(Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(O)c(OC)c1
Show InChI InChI=1S/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20)
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PubMed
n/an/a 3.05E+5n/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)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%