Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase' and Ligand = 'BDBM50163440'   

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))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Graz Curated by ChEMBL					Assay Description Inhibition of alpha-galactosidase green coffee beans				Bioorg Med Chem Lett 20: 4077-9 (2010) Article DOI: 10.1016/j.bmcl.2010.05.084 BindingDB Entry DOI: 10.7270/Q24Q7VZN
					More data for this Ligand-Target Pair
Alpha-galactosidase (Coffea arabica (Coffee beans))	BDBM50163440 ((2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-tr...) Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5+,6-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	6.5	n/a
University of Toyama Curated by ChEMBL					Assay Description Inhibition of coffee bean alpha-galactosidase assessed as p-nitrophenol release at pH 6.5 by spectrometric analysis				Bioorg Med Chem 18: 3790-4 (2010) Article DOI: 10.1016/j.bmc.2010.04.048 BindingDB Entry DOI: 10.7270/Q2XK8FQP
					More data for this Ligand-Target Pair