Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50272332'   

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
Galectin-1 (Homo sapiens (Human))	BDBM50272332 (5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...) Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec£ Montr£al Curated by ChEMBL					Assay Description Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay				Bioorg Med Chem 16: 7811-23 (2008) Article DOI: 10.1016/j.bmc.2008.06.044 BindingDB Entry DOI: 10.7270/Q2HQ40TS
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