Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-1' and Ligand = 'BDBM50247478'   

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))	BDBM50247478 (CHEMBL4066068) 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)cc(F)c2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C28H28F4N6O8S2/c29-13-1-11(2-14(30)5-13)17-7-37(35-33-17)21-23(41)19(9-39)45-27(25(21)43)47-48-28-26(44)22(24(42)20(10-40)46-28)38-8-18(34-36-38)12-3-15(31)6-16(32)4-12/h1-8,19-28,39-44H,9-10H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/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	63	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