BDBM50063302 5-N-ACETYL-BETA-D-NEURAMINIC ACID::5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid::CHEMBL165084::N-acetyl-beta-neuraminic acid::beta-Neu5Ac

SMILES: CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

InChI Key: InChIKey=SQVRNKJHWKZAKO-PFQGKNLYSA-N

Data: 2 IC50

PDB links: 38 PDB IDs match this monomer.

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 = 50063302   

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
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50063302 (5-N-ACETYL-BETA-D-NEURAMINIC ACID | 5-acetamido-3,...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type A				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair
Neuraminidase B (Influenza B virus (B/Lee/40))	BDBM50063302 (5-N-ACETYL-BETA-D-NEURAMINIC ACID | 5-acetamido-3,...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited Curated by ChEMBL					Assay Description Compound was tested for inhibitory concentration against Influenza sialidase type B				J Med Chem 41: 798-807 (1998) Article DOI: 10.1021/jm9703754 BindingDB Entry DOI: 10.7270/Q2M32WFK
					More data for this Ligand-Target Pair