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PubMed code 28160945

Compile data set for download or QSAR
Found 12 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))
BDBM222221
PNG
(3-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-1H-p...)
Show SMILES O=c1oc2ccccc2cc1-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H22N4O2/c38-33-26(20-24-16-10-11-19-28(24)39-33)31-27(21-37(36-31)25-17-8-3-9-18-25)32-34-29(22-12-4-1-5-13-22)30(35-32)23-14-6-2-7-15-23/h1-21H,(H,34,35)
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n/an/a 2.78E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222222
PNG
(6-Bromo-3-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phe...)
Show SMILES Brc1ccc2oc(=O)c(cc2c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H21BrN4O2/c34-24-16-17-28-23(18-24)19-26(33(39)40-28)31-27(20-38(37-31)25-14-8-3-9-15-25)32-35-29(21-10-4-1-5-11-21)30(36-32)22-12-6-2-7-13-22/h1-20H,(H,35,36)
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n/an/a 2.95E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222219
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-1-(4-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1cc(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-16-24(17-19-25)34-20-26(27(33-34)21-10-4-1-5-11-21)30-31-28(22-12-6-2-7-13-22)29(32-30)23-14-8-3-9-15-23/h1-20H,(H,31,32)
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n/an/a 7.81E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222214
PNG
(3-(4-Bromophenyl)-4-(4,5-diphenyl-1H-imidazol-2-yl...)
Show SMILES Brc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21BrN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222217
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(3-nitrophenyl...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-10-15-23(19-25)27-26(20-34(33-27)24-16-8-3-9-17-24)30-31-28(21-11-4-1-5-12-21)29(32-30)22-13-6-2-7-14-22/h1-20H,(H,31,32)
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n/an/a 1.28E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222213
PNG
(3-(4-Chlorophenyl)-4-(4,5-diphenyl-1H-imidazol-2-y...)
Show SMILES Clc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21ClN4/c31-24-18-16-23(17-19-24)27-26(20-35(34-27)25-14-8-3-9-15-25)30-32-28(21-10-4-1-5-11-21)29(33-30)22-12-6-2-7-13-22/h1-20H,(H,32,33)
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222218
PNG
(3-([1,1'-Biphenyl]-4-yl)-4-(4,5-diphenyl-1H-im...)
Show SMILES c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C36H26N4/c1-5-13-26(14-6-1)27-21-23-30(24-22-27)33-32(25-40(39-33)31-19-11-4-12-20-31)36-37-34(28-15-7-2-8-16-28)35(38-36)29-17-9-3-10-18-29/h1-25H,(H,37,38)
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222215
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(4-nitrophenyl...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H21N5O2/c36-35(37)25-18-16-23(17-19-25)27-26(20-34(33-27)24-14-8-3-9-15-24)30-31-28(21-10-4-1-5-11-21)29(32-30)22-12-6-2-7-13-22/h1-20H,(H,31,32)
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222220
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3,5-dimethyl-1-(...)
Show SMILES Cc1nn(c(C)c1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C26H21N5O2/c1-17-23(18(2)30(29-17)21-13-15-22(16-14-21)31(32)33)26-27-24(19-9-5-3-6-10-19)25(28-26)20-11-7-4-8-12-20/h3-16H,1-2H3,(H,27,28)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222212
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-1,3-diphenyl-1H-...)
Show SMILES c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H22N4/c1-5-13-22(14-6-1)27-26(21-34(33-27)25-19-11-4-12-20-25)30-31-28(23-15-7-2-8-16-23)29(32-30)24-17-9-3-10-18-24/h1-21H,(H,31,32)
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n/an/a 2.22E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222216
PNG
(4-(4,5-Diphenyl-1H-imidazol-2-yl)-3-(4-methoxyphen...)
Show SMILES COc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H24N4O/c1-36-26-19-17-24(18-20-26)28-27(21-35(34-28)25-15-9-4-10-16-25)31-32-29(22-11-5-2-6-12-22)30(33-31)23-13-7-3-8-14-23/h2-21H,1H3,(H,32,33)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
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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Similars

Article
PubMed
n/an/a 3.83E+4n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.017
BindingDB Entry DOI: 10.7270/Q2Z89B86
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%