BDBM50451462 CHEMBL4207339

SMILES: CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NC(C)=O)[C@H]1O

InChI Key: InChIKey=JYJSFVHCILSZDP-MDMSPXHWSA-N

Data: 1 EC50

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 1 hit for monomerid = 50451462   

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 (Homo sapiens (Human))	BDBM50451462 (CHEMBL4207339) Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(nn2)-c2ccc(cc2)S(=O)(=O)NC(C)=O)[C@H]1O |r| Show InChI InChI=1S/C18H24N4O9S/c1-10(24)20-32(27,28)13-5-3-12(4-6-13)22-7-11(19-21-22)9-30-17-15(25)14(8-23)31-18(29-2)16(17)26/h3-7,14-18,23,25-26H,8-9H2,1-2H3,(H,20,24)/t14-,15+,16-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a
University of Sao Paulo Curated by ChEMBL					Assay Description Binding affinity to recombinant human galectin-3 expressed in Escherichia coli BL21 after 3 hrs				Bioorg Med Chem 25: 6049-6059 (2017) Article DOI: 10.1016/j.bmc.2017.09.042 BindingDB Entry DOI: 10.7270/Q21Z4700
					More data for this Ligand-Target Pair