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PubMed code 26432614

Compile data set for download or QSAR
Found 18 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
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173549
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES COc1ccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C33H24N2O7S/c1-40-21-16-14-20(15-17-21)35-33(43)34-19-12-10-18(11-13-19)26(27-29(36)22-6-2-4-8-24(22)41-31(27)38)28-30(37)23-7-3-5-9-25(23)42-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,43)
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n/an/a 1.35E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173561
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21N3O8S/c36-28-21-5-1-3-7-23(21)42-30(38)26(28)25(27-29(37)22-6-2-4-8-24(22)43-31(27)39)17-9-11-18(12-10-17)33-32(44)34-19-13-15-20(16-14-19)35(40)41/h1-16,25,36-37H,(H2,33,34,44)
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n/an/a 2.47E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173548
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES COc1cccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1
Show InChI InChI=1S/C33H24N2O7S/c1-40-21-8-6-7-20(17-21)35-33(43)34-19-15-13-18(14-16-19)26(27-29(36)22-9-2-4-11-24(22)41-31(27)38)28-30(37)23-10-3-5-12-25(23)42-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,43)
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n/an/a 2.53E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173555
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21ClN2O6S/c33-18-11-15-20(16-12-18)35-32(42)34-19-13-9-17(10-14-19)25(26-28(36)21-5-1-3-7-23(21)40-30(26)38)27-29(37)22-6-2-4-8-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 2.68E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173554
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3cccc(Cl)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21ClN2O6S/c33-18-6-5-7-20(16-18)35-32(42)34-19-14-12-17(13-15-19)25(26-28(36)21-8-1-3-10-23(21)40-30(26)38)27-29(37)22-9-2-4-11-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 2.85E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173559
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C33H21F3N2O6S/c34-33(35,36)18-11-15-20(16-12-18)38-32(45)37-19-13-9-17(10-14-19)25(26-28(39)21-5-1-3-7-23(21)43-30(26)41)27-29(40)22-6-2-4-8-24(22)44-31(27)42/h1-16,25,39-40H,(H2,37,38,45)
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n/an/a 3.17E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173545
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3cccc(Br)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21BrN2O6S/c33-18-6-5-7-20(16-18)35-32(42)34-19-14-12-17(13-15-19)25(26-28(36)21-8-1-3-10-23(21)40-30(26)38)27-29(37)22-9-2-4-11-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 3.59E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173544
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccccc3Br)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21BrN2O6S/c33-21-9-3-4-10-22(21)35-32(42)34-18-15-13-17(14-16-18)25(26-28(36)19-7-1-5-11-23(19)40-30(26)38)27-29(37)20-8-2-6-12-24(20)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 3.74E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173546
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccc(Br)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21BrN2O6S/c33-18-11-15-20(16-12-18)35-32(42)34-19-13-9-17(10-14-19)25(26-28(36)21-5-1-3-7-23(21)40-30(26)38)27-29(37)22-6-2-4-8-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 3.90E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173558
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Cc1ccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C33H24N2O6S/c1-18-10-14-20(15-11-18)34-33(42)35-21-16-12-19(13-17-21)26(27-29(36)22-6-2-4-8-24(22)40-31(27)38)28-30(37)23-7-3-5-9-25(23)41-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,42)
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n/an/a 4.34E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173556
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Cc1ccccc1NC(=S)Nc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H24N2O6S/c1-18-8-2-5-11-23(18)35-33(42)34-20-16-14-19(15-17-20)26(27-29(36)21-9-3-6-12-24(21)40-31(27)38)28-30(37)22-10-4-7-13-25(22)41-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,42)
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n/an/a 5.02E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173553
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccccc3Cl)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21ClN2O6S/c33-21-9-3-4-10-22(21)35-32(42)34-18-15-13-17(14-16-18)25(26-28(36)19-7-1-5-11-23(19)40-30(26)38)27-29(37)20-8-2-6-12-24(20)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 5.03E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173560
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3cccc(c3)[N+]([O-])=O)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21N3O8S/c36-28-21-8-1-3-10-23(21)42-30(38)26(28)25(27-29(37)22-9-2-4-11-24(22)43-31(27)39)17-12-14-18(15-13-17)33-32(44)34-19-6-5-7-20(16-19)35(40)41/h1-16,25,36-37H,(H2,33,34,44)
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n/an/a 5.10E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173552
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21FN2O6S/c33-18-11-15-20(16-12-18)35-32(42)34-19-13-9-17(10-14-19)25(26-28(36)21-5-1-3-7-23(21)40-30(26)38)27-29(37)22-6-2-4-8-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 5.34E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM60583
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3cccc(F)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21FN2O6S/c33-18-6-5-7-20(16-18)35-32(42)34-19-14-12-17(13-15-19)25(26-28(36)21-8-1-3-10-23(21)40-30(26)38)27-29(37)22-9-2-4-11-24(22)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 5.51E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173557
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Cc1cccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1
Show InChI InChI=1S/C33H24N2O6S/c1-18-7-6-8-21(17-18)35-33(42)34-20-15-13-19(14-16-20)26(27-29(36)22-9-2-4-11-24(22)40-31(27)38)28-30(37)23-10-3-5-12-25(23)41-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,42)
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n/an/a 7.80E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173550
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES Oc1c(C(c2ccc(NC(=S)Nc3ccccc3F)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H21FN2O6S/c33-21-9-3-4-10-22(21)35-32(42)34-18-15-13-17(14-16-18)25(26-28(36)19-7-1-5-11-23(19)40-30(26)38)27-29(37)20-8-2-6-12-24(20)41-31(27)39/h1-16,25,36-37H,(H2,34,35,42)
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n/an/a 9.13E+4n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173547
PNG
(1-(4-(bis(4-Hydroxy-2-oxo-2H-chromen-3-yl)methyl)p...)
Show SMILES COc1ccccc1NC(=S)Nc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C33H24N2O7S/c1-40-25-13-7-4-10-22(25)35-33(43)34-19-16-14-18(15-17-19)26(27-29(36)20-8-2-5-11-23(20)41-31(27)38)28-30(37)21-9-3-6-12-24(21)42-32(28)39/h2-17,26,36-37H,1H3,(H2,34,35,43)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+5n/an/an/an/a6.837



Universiti Teknologi MARA



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Taha et al. with slight modification. Various concentration of tes...


Bioorg Chem 63: 36-44 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.004
BindingDB Entry DOI: 10.7270/Q2125RD0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%