BDBM50409997 CHEMBL2029101

SMILES: CS[C@H]1O[C@@H](COC2O[C@@H](OC([C@H](O)CO)[C@H](O)[C@@H](NC(C)=O)C(C)=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1O

InChI Key: InChIKey=SNVRMRHXVSCLRI-ZZFONJIPSA-N

Data: 1 Kd

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 = 50409997   

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)	BDBM50409997 (CHEMBL2029101) Show SMILES CS[C@H]1O[C@@H](COC2O[C@@H](OC([C@H](O)CO)[C@H](O)[C@@H](NC(C)=O)C(C)=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@@H]1O Show InChI InChI=1S/C32H44N2O15S/c1-13(36)20(33-14(2)37)23(40)28(18(38)11-35)48-31-27(44)25(42)26(43)30(49-31)46-12-19-22(39)21(24(41)32(47-19)50-3)34-29(45)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,18-28,30-32,35,38-44H,11-12H2,1-3H3,(H,33,37)(H,34,45)/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27-,28?,30?,31-,32-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	n/a
Lund University Curated by ChEMBL					Assay Description Dissociation constant for mouse Galectin-3				Bioorg Med Chem Lett 15: 3344-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.084 BindingDB Entry DOI: 10.7270/Q2D79C6D
					More data for this Ligand-Target Pair