Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Alpha-galactosidase A' and Ligand = 'BDBM50456585'   

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 A (Homo sapiens (Human))	BDBM50456585 (CHEMBL4218664) Show SMILES COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C14H18N4O3/c1-21-10-4-2-9(3-5-10)11-7-18(17-16-11)8-12-14(20)13(19)6-15-12/h2-5,7,12-15,19-20H,6,8H2,1H3/t12-,13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50456585 (CHEMBL4218664) Show SMILES COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C14H18N4O3/c1-21-10-4-2-9(3-5-10)11-7-18(17-16-11)8-12-14(20)13(19)6-15-12/h2-5,7,12-15,19-20H,6,8H2,1H3/t12-,13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Seville Curated by ChEMBL					Assay Description Inhibition of human lysosomal alpha-galactosidase A using 4-methylumbelliferyl-alpha-D-galactopyranoside as substrate preincubated for 45 mins follow...				Eur J Med Chem 138: 532-542 (2017) Article DOI: 10.1016/j.ejmech.2017.06.055 BindingDB Entry DOI: 10.7270/Q2T43WQR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50456585 (CHEMBL4218664) Show SMILES COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r| Show InChI InChI=1S/C14H18N4O3/c1-21-10-4-2-9(3-5-10)11-7-18(17-16-11)8-12-14(20)13(19)6-15-12/h2-5,7,12-15,19-20H,6,8H2,1H3/t12-,13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant lysosomal alpha-GalA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 mins followe...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112173 BindingDB Entry DOI: 10.7270/Q2H998X6
					More data for this Ligand-Target Pair