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Compile Data Set for Download or QSAR

Found 525 hits Enz. Inhib. hit(s) with Target = 'α-glucosidase'   
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 (Gaa)


(Mus musculus (Mouse))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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US Patent
n/an/an/an/a 1.18E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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n/an/an/an/a 7.45E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190529
PNG
(US9181184, 15)
Show SMILES CN(C)C(=O)OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C11H22N2O6/c1-12(2)11(18)19-4-3-13-5-8(15)10(17)9(16)7(13)6-14/h7-10,14-17H,3-6H2,1-2H3/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 5.84E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190530
PNG
(US9181184, 16)
Show SMILES CC(C)(C)OC(=O)N1CCC(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1
Show InChI InChI=1S/C17H32N2O6/c1-17(2,3)25-16(24)18-6-4-11(5-7-18)8-19-9-13(21)15(23)14(22)12(19)10-20/h11-15,20-23H,4-10H2,1-3H3/t12-,13+,14-,15-/m1/s1
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n/an/an/an/a 6.97E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190531
PNG
(US9181184, 17 | US9181184, 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1
Show InChI InChI=1S/C11H21NO5/c13-6-8-10(15)11(16)9(14)5-12(8)4-7-2-1-3-17-7/h7-11,13-16H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
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n/an/an/an/a 6.53E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190531
PNG
(US9181184, 17 | US9181184, 18)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CCCO1
Show InChI InChI=1S/C11H21NO5/c13-6-8-10(15)11(16)9(14)5-12(8)4-7-2-1-3-17-7/h7-11,13-16H,1-6H2/t7?,8-,9+,10-,11-/m1/s1
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n/an/an/an/a 1.04E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190533
PNG
(US9181184, 19)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCOCC(F)(F)F
Show InChI InChI=1S/C10H18F3NO5/c11-10(12,13)5-19-2-1-14-3-7(16)9(18)8(17)6(14)4-15/h6-9,15-18H,1-5H2/t6-,7+,8-,9-/m1/s1
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n/an/an/an/a 3.72E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190534
PNG
(US9181184, 20)
Show SMILES COCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO5/c1-15-3-2-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
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n/an/an/an/a 4.68E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190535
PNG
(US9181184, 21)
Show SMILES CCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO5/c1-2-16-4-3-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 2.10E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190536
PNG
(US9181184, 23)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H18F3NO4/c15-14(16,17)9-3-1-8(2-4-9)5-18-6-11(20)13(22)12(21)10(18)7-19/h1-4,10-13,19-22H,5-7H2/t10-,11+,12-,13-/m1/s1
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n/an/an/an/a 1.21E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190537
PNG
(US9181184, 24)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C([N+]#[C-])c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H17F3N2O4/c1-19-14(8-2-4-9(5-3-8)15(16,17)18)20-6-11(22)13(24)12(23)10(20)7-21/h2-5,10-14,21-24H,6-7H2/t10-,11+,12-,13-,14?/m1/s1
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n/an/an/an/a 7.71E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190538
PNG
(US9181184, 25)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H18F3NO5/c15-14(16,17)23-9-3-1-8(2-4-9)5-18-6-11(20)13(22)12(21)10(18)7-19/h1-4,10-13,19-22H,5-7H2/t10-,11+,12-,13-/m1/s1
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n/an/an/an/a 6.65E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190539
PNG
(US9181184, 26)
Show SMILES CCCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C18H29NO5/c1-2-3-4-9-24-14-7-5-13(6-8-14)10-19-11-16(21)18(23)17(22)15(19)12-20/h5-8,15-18,20-23H,2-4,9-12H2,1H3/t15-,16+,17-,18-/m1/s1
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n/an/an/an/a 6.60E+3n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190540
PNG
(US9181184, 27)
Show SMILES CCCCOc1ccc(CN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
Show InChI InChI=1S/C17H27NO5/c1-2-3-8-23-13-6-4-12(5-7-13)9-18-10-15(20)17(22)16(21)14(18)11-19/h4-7,14-17,19-22H,2-3,8-11H2,1H3/t14-,15+,16-,17-/m1/s1
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n/an/an/an/a 1.73E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18364
PNG
((2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidi...)
Show SMILES CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-11-13(18)15(20)14(19)12(10-17)16-11/h11-20H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
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n/an/an/an/a 7.00E+3n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM50259956
PNG
(2,6-Bis-hydroxymethyl-piperidine-3,4,5-triol | CHE...)
Show SMILES OC[C@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/t3-,4-,5-,6+,7+/m1/s1
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n/an/an/an/a 2.81E+5n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/an/an/a 9.88E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
More data for this
Ligand-Target Pair
alpha-glucosidase (Gaa)


(Mus musculus (Mouse))
BDBM190528
PNG
(US9181184, 11)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1
Show InChI InChI=1S/C10H19NO4/c12-5-7-9(14)10(15)8(13)4-11(7)3-6-1-2-6/h6-10,12-15H,1-5H2/t7-,8+,9-,10-/m1/s1
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n/an/an/an/a 4.77E+4n/an/a4.0n/a



Amicus Therapeutics, Inc.

US Patent


Assay Description
Cells were washed two times with 200 μL dPBS followed by the addition of 70 μL of substrate (2.11 mM 3 mM 4-MU-α-D-glu) in citrate-pho...


US Patent US9181184 (2015)


BindingDB Entry DOI: 10.7270/Q2T43RWB
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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n/an/a 1.29E+5n/an/an/an/a6.837



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))
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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n/an/a 2.84E+5n/an/an/an/a6.837



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))
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/a6.837



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))
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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n/an/a 3.46E+5n/an/an/an/a6.837



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/a6.837



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))
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/a6.837



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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n/an/a 2.47E+5n/an/an/an/a6.837



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/a6.837



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/a6.837



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/a6.837



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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n/an/a 1.87E+5n/an/an/an/a6.837



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))
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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n/an/a 2.77E+5n/an/an/an/a6.837



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))
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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n/an/a 3.05E+5n/an/an/an/a6.837



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))
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/a6.837



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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n/an/a 1.63E+5n/an/an/an/a6.837



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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n/an/a 2.19E+5n/an/an/an/a6.837



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))
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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n/an/a 2.98E+5n/an/an/an/a6.837



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))
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
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n/an/a 7.75E+5n/an/an/an/a6.837



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))
BDBM222278
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-phenylp...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccccc2)nn1
Show InChI InChI=1S/C15H14N6O2/c1-10-15(21(22)23)11(2)20(19-10)14-9-8-13(17-18-14)16-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17)
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n/an/a 9.61E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222279
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(p-toly...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)cc2)nn1
Show InChI InChI=1S/C16H16N6O2/c1-10-4-6-13(7-5-10)17-14-8-9-15(19-18-14)21-12(3)16(22(23)24)11(2)20-21/h4-9H,1-3H3,(H,17,18)
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n/an/a 9.36E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222280
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,4-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)c(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-5-6-14(9-11(10)2)18-15-7-8-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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PubMed
n/an/a 1.72E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222281
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3,5-di...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cc(C)cc(C)c2)nn1
Show InChI InChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
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PubMed
n/an/a 8.73E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222282
PNG
(N-(3-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cccc(Cl)c2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-7-6-13(18-19-14)17-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,18)
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PubMed
n/an/a 1.93E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222283
PNG
(N-(4-Chlorophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyra...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C15H13ClN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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PubMed
n/an/a 3.92E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222284
PNG
(N-(4-Bromophenyl)-6-(3,5-dimethyl-4-nitro-1H-pyraz...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Br)cc2)nn1
Show InChI InChI=1S/C15H13BrN6O2/c1-9-15(22(23)24)10(2)21(20-9)14-8-7-13(18-19-14)17-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18)
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n/an/a 4.29E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222285
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-meth...)
Show SMILES COc1ccc(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H16N6O3/c1-10-16(22(23)24)11(2)21(20-10)15-9-8-14(18-19-15)17-12-4-6-13(25-3)7-5-12/h4-9H,1-3H3,(H,17,18)
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n/an/a 1.12E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222286
PNG
(N-(2,5-Dimethoxyphenyl)-6-(3,5-dimethyl-4-nitro-1H...)
Show SMILES COc1ccc(OC)c(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)c1
Show InChI InChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
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n/an/a 2.75E+5n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222287
PNG
(6-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-nitr...)
Show SMILES Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(cc2)[N+]([O-])=O)nn1
Show InChI InChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
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Article
PubMed
n/an/a 8.80E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
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 3.83E+4n/an/an/an/a6.837



University of the Punjab



Assay Description
The enzyme assays were done in the initial linear parts of the assay curve with suitable positive and negative controls (data not shown). A total of ...


Bioorg Chem 71: 170-180 (2017)


Article DOI: 10.1016/j.bioorg.2017.02.003
BindingDB Entry DOI: 10.7270/Q29G5KNP
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173578
PNG
(N',N'',N'''-(pyridine-2,4,...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(C)cc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C29H29N7O9S3/c1-18-4-10-22(11-5-18)46(40,41)34-31-27(37)21-16-25(28(38)32-35-47(42,43)23-12-6-19(2)7-13-23)30-26(17-21)29(39)33-36-48(44,45)24-14-8-20(3)9-15-24/h4-17,34-36H,1-3H3,(H,31,37)(H,32,38)(H,33,39)
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n/an/a 1.25E+5n/an/an/an/a6.8n/a



GC University



Assay Description
The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 ÁL reaction mixture conta...


Bioorg Chem 63: 64-71 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.008
BindingDB Entry DOI: 10.7270/Q2RJ4H7T
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM173579
PNG
(N',N'',N'''-(pyridine-2,4,...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C38H47N7O9S3/c1-36(2,3)25-10-16-28(17-11-25)55(49,50)43-40-33(46)24-22-31(34(47)41-44-56(51,52)29-18-12-26(13-19-29)37(4,5)6)39-32(23-24)35(48)42-45-57(53,54)30-20-14-27(15-21-30)38(7,8)9/h10-23,43-45H,1-9H3,(H,40,46)(H,41,47)(H,42,48)
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n/an/a<5.00E+5n/an/an/an/a6.8n/a



GC University



Assay Description
The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 ÁL reaction mixture conta...


Bioorg Chem 63: 64-71 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.008
BindingDB Entry DOI: 10.7270/Q2RJ4H7T
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 3.83E+4n/an/an/an/a6.8n/a



GC University



Assay Description
The α-glucosidase inhibition activity was performed with slight modifications according to method. Total volume of 100 ÁL reaction mixture conta...


Bioorg Chem 63: 64-71 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.008
BindingDB Entry DOI: 10.7270/Q2RJ4H7T
More data for this
Ligand-Target Pair
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