BDBM50272381 (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(prop-2-ynylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL502537

SMILES: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=LFTZFYAQUNXTEM-CSFCPAIFSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272381   

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-1 (Homo sapiens (Human))	BDBM50272381 ((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H24O10S/c1-2-3-26-15-12(22)10(20)13(7(5-17)24-15)25-14-11(21)9(19)8(18)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+5	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
					More data for this Ligand-Target Pair
Galectin-3 (Homo sapiens (Human))	BDBM50272381 ((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...) Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H24O10S/c1-2-3-26-15-12(22)10(20)13(7(5-17)24-15)25-14-11(21)9(19)8(18)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	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 3 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
					More data for this Ligand-Target Pair