Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-galactoside-binding lectin' and Ligand = 'BDBM50401020'   

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
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair
Beta-galactoside-binding lectin (Gallus gallus)	BDBM50401020 (CHEMBL2203664) Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=O)\C=C\C(=O)N[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H46N2O22/c31-3-7-13(37)15(39)21(45)27(49-7)51-23-9(5-33)47-25(19(43)17(23)41)29-11(35)1-2-12(36)30-26-20(44)18(42)24(10(6-34)48-26)52-28-22(46)16(40)14(38)8(4-32)50-28/h1-2,7-10,13-28,31-34,37-46H,3-6H2,(H,29,35)(H,30,36)/b2-1+/t7-,8-,9-,10-,13+,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+6	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of binding of biotinylated chicken galectin-1B to surface immobilized asialofetuin by solid phase assay relative to free lactose				Bioorg Med Chem Lett 22: 313-8 (2011) Article DOI: 10.1016/j.bmcl.2011.11.010 BindingDB Entry DOI: 10.7270/Q2KP83BJ
					More data for this Ligand-Target Pair