Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 6748   

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))	BDBM150768 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-h...) Show SMILES Oc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H12N4O2S/c22-11-5-3-4-10(8-11)14(23)9-24-17-19-16-15(20-21-17)12-6-1-2-7-13(12)18-16/h1-8,22H,9H2,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150771 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-m...) Show SMILES COc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C18H14N4O2S/c1-24-12-8-6-11(7-9-12)15(23)10-25-18-20-17-16(21-22-18)13-4-2-3-5-14(13)19-17/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150775 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-phen...) Show SMILES CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150778 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-b...) Show SMILES Brc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11BrN4OS/c18-11-5-3-4-10(8-11)14(23)9-24-17-20-16-15(21-22-17)12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150774 (3-(2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acet...) Show SMILES O=C(CSc1nnc2c(n1)[nH]c1ccccc21)c1cc2ccccc2oc1=O Show InChI InChI=1S/C20H12N4O3S/c25-15(13-9-11-5-1-4-8-16(11)27-19(13)26)10-28-20-22-18-17(23-24-20)12-6-2-3-7-14(12)21-18/h1-9H,10H2,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.74E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150770 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-b...) Show SMILES Brc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11BrN4OS/c18-11-7-5-10(6-8-11)14(23)9-24-17-20-16-15(21-22-17)12-3-1-2-4-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150772 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-f...) Show SMILES Fc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H11FN4OS/c18-11-5-3-4-10(8-11)14(23)9-24-17-20-16-15(21-22-17)12-6-1-2-7-13(12)19-16/h1-8H,9H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					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	6.8	n/a
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150776 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(2-m...) Show SMILES COc1ccccc1C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C18H14N4O2S/c1-24-15-9-5-3-7-12(15)14(23)10-25-18-20-17-16(21-22-18)11-6-2-4-8-13(11)19-17/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.16E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150769 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(bip...) Show SMILES O=C(CSc1nnc2c(n1)[nH]c1ccccc21)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H16N4OS/c28-20(17-12-10-16(11-13-17)15-6-2-1-3-7-15)14-29-23-25-22-21(26-27-23)18-8-4-5-9-19(18)24-22/h1-13H,14H2,(H,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.84E+4	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150773 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(4-n...) Show SMILES Nc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C17H13N5OS/c18-11-7-5-10(6-8-11)14(23)9-24-17-20-16-15(21-22-17)12-3-1-2-4-13(12)19-16/h1-8H,9,18H2,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM150777 (2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)-1-(3-m...) Show SMILES COc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21 Show InChI InChI=1S/C18H14N4O2S/c1-24-12-6-4-5-11(9-12)15(23)10-25-18-20-17-16(21-22-18)13-7-2-3-8-14(13)19-17/h2-9H,10H2,1H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13E+5	n/a	n/a	n/a	n/a	n/a	310.15
Hazara University					Assay Description Typically, α-glucosidase activity was assayed in 50 mM phosphate buffer (pH 6.8) containing 5% v/v DMSO and PNP glycoside was used as a substrat...				Bioorg Chem 58: 81-7 (2015) Article DOI: 10.1016/j.bioorg.2014.12.001 BindingDB Entry DOI: 10.7270/Q2JQ0ZR8
					More data for this Ligand-Target Pair