Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50318559'   

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-galactosidase (Coffea arabica (Coffee beans))	BDBM50318559 ((1R,2S,3r,4R,5S,6s)-6-[(1-Octyl-1H-1,2,3-triazol-4...) Show SMILES CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C17H32N4O5/c1-2-3-4-5-6-7-8-21-10-11(19-20-21)9-18-12-13(22)15(24)17(26)16(25)14(12)23/h10,12-18,22-26H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) Curated by ChEMBL					Assay Description Inhibition of alpha-galactosidase from coffee beans				J Med Chem 54: 2069-79 (2011) Article DOI: 10.1021/jm101204u BindingDB Entry DOI: 10.7270/Q24F1R18
					More data for this Ligand-Target Pair