BDBM50331693 (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-acetamido-1,2-dihydroxypropyl)-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylate::CHEMBL1289310

SMILES: CC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=YRKAPNGJDCSEMY-RULNCXCMSA-N

Data: 1 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 1 hit for monomerid = 50331693   

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
Sialidase 3 (Homo sapiens (Human))	BDBM50331693 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-acetamido-1,2-...) Show SMILES CC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |r,c:11| Show InChI InChI=1S/C13H20N2O8/c1-5(16)14-4-8(19)11(20)12-10(15-6(2)17)7(18)3-9(23-12)13(21)22/h3,7-8,10-12,18-20H,4H2,1-2H3,(H,14,16)(H,15,17)(H,21,22)/t7-,8+,10+,11+,12+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis				Bioorg Med Chem Lett 20: 7529-33 (2010) Article DOI: 10.1016/j.bmcl.2010.09.111 BindingDB Entry DOI: 10.7270/Q2K938H5
					More data for this Ligand-Target Pair