BDBM50272419 (2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL505985

SMILES: OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H]([C@@H](O)[C@@H]2O)n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=YEGZGFSXXXODOV-XMCTWEFQSA-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 = 50272419   

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))	BDBM50272419 ((2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-dihyd...) Show SMILES OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H]([C@@H](O)[C@@H]2O)n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)16(34)20(37-7)39-18-9(4-27)36-19(15(33)14(18)32)24-1-6(22-23-24)5-40-21-17(35)13(31)11(29)8(3-26)38-21/h1,7-21,25-35H,2-5H2/t7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21-/m0/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	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 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))	BDBM50272419 ((2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-dihyd...) Show SMILES OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H]([C@@H](O)[C@@H]2O)n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)16(34)20(37-7)39-18-9(4-27)36-19(15(33)14(18)32)24-1-6(22-23-24)5-40-21-17(35)13(31)11(29)8(3-26)38-21/h1,7-21,25-35H,2-5H2/t7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21-/m0/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	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 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