Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50043766   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445973 (CHEMBL3103095) Show SMILES c1ccc-2c(c1)\C(=N\N=C1/c3ccccc3-c3nc4ccccc4nc13)c1nc3ccccc3nc-21 Show InChI InChI=1S/C30H16N6/c1-3-11-19-17(9-1)25-29(33-23-15-7-5-13-21(23)31-25)27(19)35-36-28-20-12-4-2-10-18(20)26-30(28)34-24-16-8-6-14-22(24)32-26/h1-16H/b35-27-,36-28+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445984 (CHEMBL3103158) Show SMILES Brc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13BrN4O/c23-14-11-9-13(10-12-14)22(28)27-26-20-16-6-2-1-5-15(16)19-21(20)25-18-8-4-3-7-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445986 (CHEMBL3103156) Show SMILES Brc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13BrN4O/c23-16-10-4-3-9-15(16)22(28)27-26-20-14-8-2-1-7-13(14)19-21(20)25-18-12-6-5-11-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445976 (CHEMBL3103091) Show SMILES [O-][N+](=O)c1ccccc1C(=O)\[NH+]=N\c1c2ccccc2c2[n-]c3ccccc3nc12 Show InChI InChI=1S/C22H13N5O3/c28-22(15-9-3-6-12-18(15)27(29)30)26-25-20-14-8-2-1-7-13(14)19-21(20)24-17-11-5-4-10-16(17)23-19/h1-12H,(H,23,24,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445983 (CHEMBL3103159) Show SMILES Clc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13ClN4O/c23-16-10-4-3-9-15(16)22(28)27-26-20-14-8-2-1-7-13(14)19-21(20)25-18-12-6-5-11-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445975 (CHEMBL3103092) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\[NH+]=N\c1c2ccccc2c2[n-]c3ccccc3nc12 Show InChI InChI=1S/C22H13N5O3/c28-22(13-9-11-14(12-10-13)27(29)30)26-25-20-16-6-2-1-5-15(16)19-21(20)24-18-8-4-3-7-17(18)23-19/h1-12H,(H,23,24,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445979 (CHEMBL3103088) Show SMILES Ic1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13IN4O/c23-14-11-9-13(10-12-14)22(28)27-26-20-16-6-2-1-5-15(16)19-21(20)25-18-8-4-3-7-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50333465 ((2R,3R,4R,5R,6R)-5-((2R,3R,4R,5S,6R)-5-((2R,3R,4S,...) 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)O[C@@H](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 |r,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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445971 (CHEMBL3103155) Show SMILES Fc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13FN4O/c23-14-11-9-13(10-12-14)22(28)27-26-20-16-6-2-1-5-15(16)19-21(20)25-18-8-4-3-7-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445977 (CHEMBL3103090) Show SMILES Nc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H15N5O/c23-16-10-4-3-9-15(16)22(28)27-26-20-14-8-2-1-7-13(14)19-21(20)25-18-12-6-5-11-17(18)24-19/h1-12,25H,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM75463 (11-indeno[1,2-b]quinoxalinone | MLS000067615 | SMR...) Show SMILES O=C1c2ccccc2-c2nc3ccccc3nc12 Show InChI InChI=1S/C15H8N2O/c18-15-10-6-2-1-5-9(10)13-14(15)17-12-8-4-3-7-11(12)16-13/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445980 (CHEMBL3103162) Show SMILES Ic1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13IN4O/c23-14-7-5-6-13(12-14)22(28)27-26-20-16-9-2-1-8-15(16)19-21(20)25-18-11-4-3-10-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445972 (CHEMBL3103154) Show SMILES Fc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13FN4O/c23-14-7-5-6-13(12-14)22(28)27-26-20-16-9-2-1-8-15(16)19-21(20)25-18-11-4-3-10-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445981 (CHEMBL3103161) Show SMILES Clc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13ClN4O/c23-14-11-9-13(10-12-14)22(28)27-26-20-16-6-2-1-5-15(16)19-21(20)25-18-8-4-3-7-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445974 (CHEMBL3103094) Show SMILES Oc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H14N4O2/c27-14-11-9-13(10-12-14)22(28)26-25-20-16-6-2-1-5-15(16)19-21(20)24-18-8-4-3-7-17(18)23-19/h1-12,24,27H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445982 (CHEMBL3103160) Show SMILES Clc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13ClN4O/c23-14-7-5-6-13(12-14)22(28)27-26-20-16-9-2-1-8-15(16)19-21(20)25-18-11-4-3-10-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445985 (CHEMBL3103157) Show SMILES Brc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C22H13BrN4O/c23-14-7-5-6-13(12-14)22(28)27-26-20-16-9-2-1-8-15(16)19-21(20)25-18-11-4-3-10-17(18)24-19/h1-12,25H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM50445978 (CHEMBL3103089) Show SMILES Cc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11| Show InChI InChI=1S/C23H16N4O/c1-14-10-12-15(13-11-14)23(28)27-26-21-17-7-3-2-6-16(17)20-22(21)25-19-9-5-4-8-18(19)24-20/h2-13,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Punjab Curated by ChEMBL					Assay Description Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured a...				Bioorg Med Chem 22: 1195-200 (2014) Article DOI: 10.1016/j.bmc.2013.12.024 BindingDB Entry DOI: 10.7270/Q2F1916H
					More data for this Ligand-Target Pair