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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'sera' and Initial = 'f'   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50209764
PNG
(CHEMBL3884776)
Show SMILES O[C@H]1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)C[C@H]1O |r|
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2/t13-,14+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of full length human GST-tagged MEK1 using ERK1/ERK2 peptide substrate in presence of ATP by ADP-Glo chemiluminescence assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/2


(Homo sapiens (Human))
BDBM50209763
PNG
(CHEMBL3883792)
Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O
Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay


Bioorg Med Chem 25: 1004-1013 (2017)


Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH
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
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