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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'rehman' and Initial = 'au'   
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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM60585
PNG
(2-(3'-Fluorophenyl)-7-methyl-1H-benzo[d]imidazole ...)
Show SMILES Cc1cccc2nc([nH]c12)-c1cccc(F)c1
Show InChI InChI=1S/C14H11FN2/c1-9-4-2-7-12-13(9)17-14(16-12)10-5-3-6-11(15)8-10/h2-8H,1H3,(H,16,17)
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n/an/a 165n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
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 |t:37|
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 2.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528910
PNG
(CHEMBL4472850)
Show SMILES Cc1cc2nnn(CC(=O)c3ccc(Cl)c(Cl)c3)c2cc1C
Show InChI InChI=1S/C16H13Cl2N3O/c1-9-5-14-15(6-10(9)2)21(20-19-14)8-16(22)11-3-4-12(17)13(18)7-11/h3-7H,8H2,1-2H3
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n/an/a 2.04E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528909
PNG
(CHEMBL4449615)
Show SMILES Cc1cc2nnn(CC(=O)c3ccc(Cl)cc3)c2cc1C
Show InChI InChI=1S/C16H14ClN3O/c1-10-7-14-15(8-11(10)2)20(19-18-14)9-16(21)12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3
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n/an/a 2.21E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM47859
PNG
(2-(1-benzotriazolyl)-1-(4-chlorophenyl)ethanone | ...)
Show SMILES Clc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10ClN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528917
PNG
(CHEMBL4566389)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc2cc(C)c(C)cc12
Show InChI InChI=1S/C17H17N3O2/c1-11-8-15-16(9-12(11)2)20(19-18-15)10-17(21)13-4-6-14(22-3)7-5-13/h4-9H,10H2,1-3H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM47862
PNG
(2-(1-benzotriazolyl)-1-(4-bromophenyl)ethanone | 2...)
Show SMILES Brc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528921
PNG
(CHEMBL4585914)
Show SMILES Brc1cccc(c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10BrN3O/c15-11-5-3-4-10(8-11)14(19)9-18-13-7-2-1-6-12(13)16-17-18/h1-8H,9H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528914
PNG
(CHEMBL4451810)
Show SMILES Fc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H8FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
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n/an/a 2.82E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528903
PNG
(CHEMBL4515499)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H8N4O3/c18-13(9-5-7-10(8-6-9)17(19)20)16-12-4-2-1-3-11(12)14-15-16/h1-8H
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50457201
PNG
(CHEMBL1288788)
Show SMILES COc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O2/c1-19-11-8-6-10(7-9-11)14(18)17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528918
PNG
(CHEMBL4469294)
Show SMILES Clc1cccc(c1)C(=O)n1nnc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C13H6Cl3N3O/c14-8-3-1-2-7(4-8)13(20)19-12-6-10(16)9(15)5-11(12)17-18-19/h1-6H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50457205
PNG
(CHEMBL4217303)
Show SMILES Brc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H8BrN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8H
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528911
PNG
(CHEMBL4577650)
Show SMILES Cc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C
Show InChI InChI=1S/C16H15N3O2/c1-10-7-13-14(8-11(10)2)19(18-17-13)9-16(21)12-5-3-4-6-15(12)20/h3-8,20H,9H2,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528898
PNG
(CHEMBL4446986)
Show SMILES Cc1cc2nnn(C(=O)c3ccccc3)c2cc1C
Show InChI InChI=1S/C15H13N3O/c1-10-8-13-14(9-11(10)2)18(17-16-13)15(19)12-6-4-3-5-7-12/h3-9H,1-2H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528923
PNG
(CHEMBL4443687)
Show SMILES Cc1cc2nnn(CC(=O)c3ccccc3)c2cc1C
Show InChI InChI=1S/C16H15N3O/c1-11-8-14-15(9-12(11)2)19(18-17-14)10-16(20)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528906
PNG
(CHEMBL4516633)
Show SMILES Clc1cccc(C(=O)Cn2nnc3ccccc23)c1Cl
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-5-3-4-9(14(10)16)13(20)8-19-12-7-2-1-6-11(12)17-18-19/h1-7H,8H2
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n/an/a 3.47E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528900
PNG
(CHEMBL4440745)
Show SMILES Clc1cc2nnn(C(=O)c3ccccc3)c2cc1Cl
Show InChI InChI=1S/C13H7Cl2N3O/c14-9-6-11-12(7-10(9)15)18(17-16-11)13(19)8-4-2-1-3-5-8/h1-7H
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528899
PNG
(CHEMBL4573584)
Show SMILES Cc1ccc(cc1C)C(=O)n1nnc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C15H11Cl2N3O/c1-8-3-4-10(5-9(8)2)15(21)20-14-7-12(17)11(16)6-13(14)18-19-20/h3-7H,1-2H3
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n/an/a 3.82E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528915
PNG
(CHEMBL4567315)
Show SMILES Clc1ccc(cc1Cl)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H9Cl2N3O/c15-10-6-5-9(7-11(10)16)14(20)8-19-13-4-2-1-3-12(13)17-18-19/h1-7H,8H2
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528907
PNG
(CHEMBL1429088)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10N4O3/c19-14(10-4-3-5-11(8-10)18(20)21)9-17-13-7-2-1-6-12(13)15-16-17/h1-8H,9H2
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528904
PNG
(CHEMBL4549620)
Show SMILES Cc1cc(ccc1[N+]([O-])=O)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H10N4O3/c1-9-8-10(6-7-12(9)18(20)21)14(19)17-13-5-3-2-4-11(13)15-16-17/h2-8H,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528920
PNG
(CHEMBL4573221)
Show SMILES Cc1cc(cc(C)c1C)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C16H15N3O/c1-10-8-13(9-11(2)12(10)3)16(20)19-15-7-5-4-6-14(15)17-18-19/h4-9H,1-3H3
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n/an/a 4.23E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528905
PNG
(CHEMBL4437073)
Show SMILES Nc1cc(ccc1Cl)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H9ClN4O/c14-9-6-5-8(7-10(9)15)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H,15H2
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n/an/a 4.32E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528902
PNG
(CHEMBL4462641)
Show SMILES Cc1cccc(c1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O/c1-10-5-4-6-11(9-10)14(18)17-13-8-3-2-7-12(13)15-16-17/h2-9H,1H3
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n/an/a 4.42E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528908
PNG
(CHEMBL4561169)
Show SMILES COc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C15H13N3O2/c1-20-12-8-6-11(7-9-12)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528916
PNG
(CHEMBL1409618)
Show SMILES Cc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C15H13N3O/c1-11-6-8-12(9-7-11)15(19)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3
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n/an/a 4.78E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50326570
PNG
((1H-benzo[d][1,2,3]triazol-1-yl)(2-methoxyphenyl)m...)
Show SMILES COc1ccccc1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O2/c1-19-13-9-5-2-6-10(13)14(18)17-12-8-4-3-7-11(12)15-16-17/h2-9H,1H3
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n/an/a 4.79E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528913
PNG
(CHEMBL4443784)
Show SMILES Cc1ccc(cc1C)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C15H13N3O/c1-10-7-8-12(9-11(10)2)15(19)18-14-6-4-3-5-13(14)16-17-18/h3-9H,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528912
PNG
(CHEMBL4449860)
Show SMILES Oc1ccccc1C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H11N3O2/c18-13-8-4-1-5-10(13)14(19)9-17-12-7-3-2-6-11(12)15-16-17/h1-8,18H,9H2
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n/an/a 4.87E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528897
PNG
(CHEMBL1438482)
Show SMILES O=C(Cn1nnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15-16-17/h1-9H,10H2
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n/an/a 4.91E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528922
PNG
(CHEMBL4515373)
Show SMILES O=C(Cn1nnc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-20(14-23-19-9-5-4-8-18(19)21-22-23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13H,14H2
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n/an/a 4.98E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528919
PNG
(CHEMBL4533056)
Show SMILES Fc1cccc(F)c1C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H7F2N3O/c14-8-4-3-5-9(15)12(8)13(19)18-11-7-2-1-6-10(11)16-17-18/h1-7H
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n/an/a 5.23E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM32701
PNG
(1-benzotriazolyl(phenyl)methanone | Benzotriazol-1...)
Show SMILES O=C(c1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
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n/an/a 5.29E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179781
PNG
(2-(2'-Chlorophenyl)-7-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cccc2nc([nH]c12)-c1ccccc1Cl
Show InChI InChI=1S/C14H11ClN2/c1-9-5-4-8-12-13(9)17-14(16-12)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,16,17)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528896
PNG
(CHEMBL4466646)
Show SMILES CCCCOc1ccc(cc1)C(=O)n1nnc2ccccc12
Show InChI InChI=1S/C17H17N3O2/c1-2-3-12-22-14-10-8-13(9-11-14)17(21)20-16-7-5-4-6-15(16)18-19-20/h4-11H,2-3,12H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Probable maltase-glucoamylase 2


(Homo sapiens)
BDBM50528901
PNG
(CHEMBL4532649)
Show SMILES Fc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1F
Show InChI InChI=1S/C13H6ClF2N3O/c14-11-7(5-6-8(15)12(11)16)13(20)19-10-4-2-1-3-9(10)17-18-19/h1-6H
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n/an/a 5.63E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of alpha-glucosidase (unknown origin)


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111677
BindingDB Entry DOI: 10.7270/Q2KH0RSG
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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/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 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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179777
PNG
(2-(2'-Hydroxyphenyl)-7-methyl-1H-benzo[d]imida...)
Show SMILES Cc1cccc2nc([nH]c12)-c1ccccc1O
Show InChI InChI=1S/C14H12N2O/c1-9-5-4-7-11-13(9)16-14(15-11)10-6-2-3-8-12(10)17/h2-8,17H,1H3,(H,15,16)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179770
PNG
(7-Methyl-2-(thiophen-2'-yl)-1H-benzo[d]imidazo...)
Show SMILES Cc1cccc2nc([nH]c12)-c1cccs1
Show InChI InChI=1S/C12H10N2S/c1-8-4-2-5-9-11(8)14-12(13-9)10-6-3-7-15-10/h2-7H,1H3,(H,13,14)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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
Oligo-1,6-glucosidase IMA1


(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/C32H20Cl2N2O6S/c33-21-14-13-18(15-22(21)34)36-32(43)35-17-11-9-16(10-12-17)25(26-28(37)19-5-1-3-7-23(19)41-30(26)39)27-29(38)20-6-2-4-8-24(20)42-31(27)40/h1-15,25,37-38H,(H2,35,36,43)
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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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179769
PNG
(2-(3',4'-Dihydroxyphenyl)-7-methyl-1H-benz...)
Show SMILES Cc1cccc2nc([nH]c12)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C14H12N2O2/c1-8-3-2-4-10-13(8)16-14(15-10)9-5-6-11(17)12(18)7-9/h2-7,17-18H,1H3,(H,15,16)
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n/an/a 2.54E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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/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 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
Oligo-1,6-glucosidase IMA1


(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/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 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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179778
PNG
(2-(2'-Hydroxy-4'-methoxyphenyl)-7-methyl-1...)
Show SMILES COc1ccc(-c2nc3cccc(C)c3[nH]2)c(O)c1
Show InChI InChI=1S/C15H14N2O2/c1-9-4-3-5-12-14(9)17-15(16-12)11-7-6-10(19-2)8-13(11)18/h3-8,18H,1-2H3,(H,16,17)
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n/an/a 2.98E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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/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 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
Oligo-1,6-glucosidase IMA1


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM179767
PNG
(2-(2'-Fluorophenyl)-7-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cccc2nc([nH]c12)-c1ccccc1F
Show InChI InChI=1S/C14H11FN2/c1-9-5-4-8-12-13(9)17-14(16-12)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,16,17)
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n/an/a 3.44E+4n/an/an/an/an/an/a



Universiti Teknologi MARA (UiTM), Puncak Alam Campus



Assay Description
The 135 無 of 50 mM phosphate saline buffer pH (6.8), solution of enzyme (20 無), and 20 無 of test sample with 70% DMSO was added to 96-well plate. ...


Bioorg Chem 65: 100-9 (2016)


Article DOI: 10.1016/j.bioorg.2016.02.004
BindingDB Entry DOI: 10.7270/Q24B303S
More data for this
Ligand-Target Pair
Oligo-1,6-glucosidase IMA1


(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
Oligo-1,6-glucosidase IMA1


(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
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