null

SMILES: [H][C@@]1(O[C@@H]2[C@@H](CO)O[C@@H](SSCc3ccc(CSS[C@@H]4O[C@H](CO)[C@@H](O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc34)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key: InChIKey=OWQRBCCRSUSWTH-ARQUTJHVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50252447   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Galectin-3 (Mus musculus)	BDBM50252447 (CHEMBL4091223) Show SMILES [H][C@@]1(O[C@@H]2[C@@H](CO)O[C@@H](SSCc3ccc(CSS[C@@H]4O[C@H](CO)[C@@H](O[C@]5([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)c4ccccc34)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C36H52O20S4/c37-7-17-21(41)23(43)27(47)33(51-17)55-31-19(9-39)53-35(29(49)25(31)45)59-57-11-13-5-6-14(16-4-2-1-3-15(13)16)12-58-60-36-30(50)26(46)32(20(10-40)54-36)56-34-28(48)24(44)22(42)18(8-38)52-34/h1-6,17-50H,7-12H2/t17-,18-,19-,20-,21+,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians-University Munich, Veterinärstr. 13, 80539 München, Germany. Curated by ChEMBL					Assay Description Inhibition of galectin-3 in C57BL/6 mouse jejunum using SK-5100 as substrate incubated for 30 mins by VAA staining based microscopic analysis				Bioorg Med Chem 25: 3158-3170 (2017) Article DOI: 10.1016/j.bmc.2017.04.011 BindingDB Entry DOI: 10.7270/Q2PN9820
					More data for this Ligand-Target Pair