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PubMed code 28043716

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))
BDBM222073
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N6O3S/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-3-5-16(6-4-15)22(30)27-28-23(33)24-17-7-9-18(10-8-17)29(31)32/h3-12H,1-2H3,(H,25,26)(H,27,30)(H2,24,28,33)
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n/an/a 3.58E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222069
PNG
(N-(4-bromophenyl)-2-(4-(5,6-dimethyl-1H-benzo[d]im...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Br)cc1
Show InChI InChI=1S/C23H20BrN5OS/c1-13-11-19-20(12-14(13)2)27-21(26-19)15-3-5-16(6-4-15)22(30)28-29-23(31)25-18-9-7-17(24)8-10-18/h3-12H,1-2H3,(H,26,27)(H,28,30)(H2,25,29,31)
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n/an/a 5.06E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222064
PNG
(N-(3,4-dichlorophenyl)-2-(4-(5,6-dimethyl-1H-benzo...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H19Cl2N5OS/c1-12-9-19-20(10-13(12)2)28-21(27-19)14-3-5-15(6-4-14)22(31)29-30-23(32)26-16-7-8-17(24)18(25)11-16/h3-11H,1-2H3,(H,27,28)(H,29,31)(H2,26,30,32)
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n/an/a 6.19E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222067
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES COc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H23N5O2S/c1-14-11-20-21(12-15(14)2)27-22(26-20)16-7-9-17(10-8-16)23(30)28-29-24(32)25-18-5-4-6-19(13-18)31-3/h4-13H,1-3H3,(H,26,27)(H,28,30)(H2,25,29,32)
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n/an/a 7.18E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222068
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H20N6O3S/c1-13-10-19-20(11-14(13)2)26-21(25-19)15-6-8-16(9-7-15)22(30)27-28-23(33)24-17-4-3-5-18(12-17)29(31)32/h3-12H,1-2H3,(H,25,26)(H,27,30)(H2,24,28,33)
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n/an/a 1.17E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222060
PNG
(N-(2-bromophenyl)-2-(4-(5,6-dimethyl-1H-benzo[d]im...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1Br
Show InChI InChI=1S/C23H20BrN5OS/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22(30)28-29-23(31)27-18-6-4-3-5-17(18)24/h3-12H,1-2H3,(H,25,26)(H,28,30)(H2,27,29,31)
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Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222074
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N5OS/c1-13-11-19-20(12-14(13)2)30-21(29-19)15-3-5-16(6-4-15)22(33)31-32-23(34)28-18-9-7-17(8-10-18)24(25,26)27/h3-12H,1-2H3,(H,29,30)(H,31,33)(H2,28,32,34)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222065
PNG
(N-(3-bromophenyl)-2-(4-(5,6-dimethyl-1H-benzo[d]im...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(Br)c1
Show InChI InChI=1S/C23H20BrN5OS/c1-13-10-19-20(11-14(13)2)27-21(26-19)15-6-8-16(9-7-15)22(30)28-29-23(31)25-18-5-3-4-17(24)12-18/h3-12H,1-2H3,(H,26,27)(H,28,30)(H2,25,29,31)
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n/an/a 1.78E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222070
PNG
(N-(4-chlorophenyl)-2-(4-(5,6-dimethyl-1H-benzo[d]i...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20ClN5OS/c1-13-11-19-20(12-14(13)2)27-21(26-19)15-3-5-16(6-4-15)22(30)28-29-23(31)25-18-9-7-17(24)8-10-18/h3-12H,1-2H3,(H,26,27)(H,28,30)(H2,25,29,31)
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Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222075
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Show InChI InChI=1S/C24H23N5OS/c1-14-5-4-6-19(11-14)25-24(31)29-28-23(30)18-9-7-17(8-10-18)22-26-20-12-15(2)16(3)13-21(20)27-22/h4-13H,1-3H3,(H,26,27)(H,28,30)(H2,25,29,31)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222062
PNG
(2-(4-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1F
Show InChI InChI=1S/C23H20FN5OS/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22(30)28-29-23(31)27-18-6-4-3-5-17(18)24/h3-12H,1-2H3,(H,25,26)(H,28,30)(H2,27,29,31)
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n/an/a 2.31E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222066
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(F)c1
Show InChI InChI=1S/C23H20FN5OS/c1-13-10-19-20(11-14(13)2)27-21(26-19)15-6-8-16(9-7-15)22(30)28-29-23(31)25-18-5-3-4-17(24)12-18/h3-12H,1-2H3,(H,26,27)(H,28,30)(H2,25,29,31)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222071
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H20FN5OS/c1-13-11-19-20(12-14(13)2)27-21(26-19)15-3-5-16(6-4-15)22(30)28-29-23(31)25-18-9-7-17(24)8-10-18/h3-12H,1-2H3,(H,26,27)(H,28,30)(H2,25,29,31)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222061
PNG
(N-(2-chlorophenyl)-2-(4-(5,6-dimethyl-1H-benzo[d]i...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1Cl
Show InChI InChI=1S/C23H20ClN5OS/c1-13-11-19-20(12-14(13)2)26-21(25-19)15-7-9-16(10-8-15)22(30)28-29-23(31)27-18-6-4-3-5-17(18)24/h3-12H,1-2H3,(H,25,26)(H,28,30)(H2,27,29,31)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222076
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES Cc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C24H23N5OS/c1-14-4-10-19(11-5-14)25-24(31)29-28-23(30)18-8-6-17(7-9-18)22-26-20-12-15(2)16(3)13-21(20)27-22/h4-13H,1-3H3,(H,26,27)(H,28,30)(H2,25,29,31)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222072
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES COc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C24H23N5O2S/c1-14-12-20-21(13-15(14)2)27-22(26-20)16-4-6-17(7-5-16)23(30)28-29-24(32)25-18-8-10-19(31-3)11-9-18/h4-13H,1-3H3,(H,26,27)(H,28,30)(H2,25,29,32)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222063
PNG
(2-(4-(5,6-Dimethyl-1H-benzo[d]imidazol-2-yl)benzoy...)
Show SMILES COc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C24H23N5O2S/c1-14-12-19-20(13-15(14)2)26-22(25-19)16-8-10-17(11-9-16)23(30)28-29-24(32)27-18-6-4-5-7-21(18)31-3/h4-13H,1-3H3,(H,25,26)(H,28,30)(H2,27,29,32)
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Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
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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n/an/a 7.75E+5n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM)



Assay Description
The enzyme inhibition was evaluated according to the method previously reported by Zawawi et al. [Zawawi et al., Bioorg. Chem., 23:3119] with slight ...


Bioorg Chem 70: 184-191 (2017)


Article DOI: 10.1016/j.bioorg.2016.12.009
BindingDB Entry DOI: 10.7270/Q27P8X71
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%