Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Alpha-glucosidase MAL12' and Ligand = 'BDBM50333465'   

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
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt 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	37
COMSATS Institute of Information Technology, Lahore 54000, Pakistan					Assay Description Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...				Bioorg Chem 54: 96-104 (2014) Article DOI: 10.1016/j.bioorg.2014.05.003 BindingDB Entry DOI: 10.7270/Q2NG4P8Q
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of yeast alpha-glucosidase MAL12 assessed as inhibition of p-nitrophenol release by spectrophotometry				J Med Chem 53: 2364-75 (2010) Article DOI: 10.1021/jm901265h BindingDB Entry DOI: 10.7270/Q20R9QC7
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea.					Assay Description The assay was performed using isolated phenolics from maize, and inhibition was determined according to previously described method.				Chem Biol Drug Des 83: 119-25 (2014) Article DOI: 10.1111/cbdd.12205 BindingDB Entry DOI: 10.7270/Q2Z89B2H
					More data for this Ligand-Target Pair
Alpha-glucosidase MAL12 (Saccharomyces cerevisiae)	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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Hazara University					Assay Description 10 µL of test samples (5 mg/mL DMSO solution) were reconstituted in 100 µL of 100 mM-phosphate buffer (pH6.8) in 96-well microplate and incubated wit...				Bioorg Chem 60: 42-8 (2015) Article DOI: 10.1016/j.bioorg.2015.03.005 BindingDB Entry DOI: 10.7270/Q2DR2T7R
					More data for this Ligand-Target Pair