Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50247480'   

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))	BDBM50247480 (CHEMBL4064035) Show SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2cc(F)c(F)c(F)c2)[C@H](O)[C@@H](OCc2cc3c(F)c(F)ccc3oc2=O)[C@H]1O |r| Show InChI InChI=1S/C30H28F5N3O11S2/c31-13-1-2-17-12(20(13)34)3-11(28(45)47-17)9-46-27-24(42)19(8-40)49-30(26(27)44)51-50-29-25(43)22(23(41)18(7-39)48-29)38-6-16(36-37-38)10-4-14(32)21(35)15(33)5-10/h1-6,18-19,22-27,29-30,39-44H,7-9H2/t18-,19-,22+,23+,24+,25-,26-,27+,29+,30+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40E+5	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta...				J Med Chem 61: 1164-1175 (2018) Article DOI: 10.1021/acs.jmedchem.7b01626 BindingDB Entry DOI: 10.7270/Q2794743
					More data for this Ligand-Target Pair