Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 7087   

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))	BDBM173530 ((E)-N'-(3,4,5-trihydroxybenzylidene)-1H-indole...) Show SMILES Oc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc(O)c1O Show InChI InChI=1S/C16H13N3O4/c20-13-5-9(6-14(21)15(13)22)8-17-19-16(23)12-7-10-3-1-2-4-11(10)18-12/h1-8,18,20-22H,(H,19,23)/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173542 ((E)-N'-(3-Bromo-4-fluorobenzylidene)-1H-indole...) Show SMILES Fc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1Br Show InChI InChI=1S/C16H11BrFN3O/c17-12-7-10(5-6-13(12)18)9-19-21-16(22)15-8-11-3-1-2-4-14(11)20-15/h1-9,20H,(H,21,22)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173543 ((E)-N'-(4-Chlorobenzylidene)-1H-indole-2-carbo...) Show SMILES Clc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C16H12ClN3O/c17-13-7-5-11(6-8-13)10-18-20-16(21)15-9-12-3-1-2-4-14(12)19-15/h1-10,19H,(H,20,21)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173533 ((E)-N'-(3,4-dihydroxybenzylidene)-1H-indole-2-...) Show SMILES Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O Show InChI InChI=1S/C16H13N3O3/c20-14-6-5-10(7-15(14)21)9-17-19-16(22)13-8-11-3-1-2-4-12(11)18-13/h1-9,18,20-21H,(H,19,22)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173538 ((E)-N'-(2-hydroxybenzylidene)-1H-indole-2-carb...) Show SMILES Oc1ccccc1\C=N\NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H13N3O2/c20-15-8-4-2-6-12(15)10-17-19-16(21)14-9-11-5-1-3-7-13(11)18-14/h1-10,18,20H,(H,19,21)/b17-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173531 ((E)-N'-(2,4,6-trihydroxybenzylidene)-1H-indole...) Show SMILES Oc1cc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(O)c1 Show InChI InChI=1S/C16H13N3O4/c20-10-6-14(21)11(15(22)7-10)8-17-19-16(23)13-5-9-3-1-2-4-12(9)18-13/h1-8,18,20-22H,(H,19,23)/b17-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173540 ((E)-N'-(2-hydroxy-5-methoxybenzylidene)-1H-ind...) Show SMILES COc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C17H15N3O3/c1-23-13-6-7-16(21)12(8-13)10-18-20-17(22)15-9-11-4-2-3-5-14(11)19-15/h2-10,19,21H,1H3,(H,20,22)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173541 ((E)-N'-(3-hydroxy-2-iodo-4-methoxybenzylidene)...) Show SMILES COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(I)c1O Show InChI InChI=1S/C17H14IN3O3/c1-24-14-7-6-11(15(18)16(14)22)9-19-21-17(23)13-8-10-4-2-3-5-12(10)20-13/h2-9,20,22H,1H3,(H,21,23)/b19-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173534 ((E)-N'-(2,3-dihydroxybenzylidene)-1H-indole-2-...) Show SMILES Oc1cccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1O Show InChI InChI=1S/C16H13N3O3/c20-14-7-3-5-11(15(14)21)9-17-19-16(22)13-8-10-4-1-2-6-12(10)18-13/h1-9,18,20-21H,(H,19,22)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173532 ((E)-N'-(2,5-dihydroxybenzylidene)-1H-indole-2-...) Show SMILES Oc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C16H13N3O3/c20-12-5-6-15(21)11(7-12)9-17-19-16(22)14-8-10-3-1-2-4-13(10)18-14/h1-9,18,20-21H,(H,19,22)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173536 ((E)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-ind...) Show SMILES COc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)ccc1O Show InChI InChI=1S/C17H15N3O3/c1-23-16-8-11(6-7-15(16)21)10-18-20-17(22)14-9-12-4-2-3-5-13(12)19-14/h2-10,19,21H,1H3,(H,20,22)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173539 ((E)-N'-(3-hydroxy-4-methoxybenzylidene)-1H-ind...) Show SMILES COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O Show InChI InChI=1S/C17H15N3O3/c1-23-16-7-6-11(8-15(16)21)10-18-20-17(22)14-9-12-4-2-3-5-13(12)19-14/h2-10,19,21H,1H3,(H,20,22)/b18-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173537 ((E)-N'-(4-hydroxybenzylidene)-1H-indole-2-carb...) Show SMILES Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C16H13N3O2/c20-13-7-5-11(6-8-13)10-17-19-16(21)15-9-12-3-1-2-4-14(12)18-15/h1-10,18,20H,(H,19,21)/b17-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair
Oligo-1,6-glucosidase IMA1 (Saccharomyces cerevisiae S288c (Baker's yeast))	BDBM173535 ((E)-N'-(3,5-dihydroxybenzylidene)-1H-indole-2-...) Show SMILES Oc1cc(O)cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C16H13N3O3/c20-12-5-10(6-13(21)8-12)9-17-19-16(22)15-7-11-3-1-2-4-14(11)18-15/h1-9,18,20-21H,(H,19,22)/b17-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Teknologi MARA (UiTM)					Assay Description The 135 µL of 50 mM phosphate saline buffer pH (6.8) was added in the 96-well plate and 20 µL of test sample with 70% DMSO added into the wells. The ...				Bioorg Chem 63: 24-35 (2015) Article DOI: 10.1016/j.bioorg.2015.09.001 BindingDB Entry DOI: 10.7270/Q24Q7SSK
					More data for this Ligand-Target Pair