Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hemagglutinin-neuraminidase' and Ligand = 'BDBM50341457'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hemagglutinin-neuraminidase (Human parainfluenza virus 1)	BDBM50341457 (5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(thiophen...) Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(Cc1cccs1)NS(C)(=O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,w:11.19,c:7| Show InChI InChI=1S/C18H25N3O9S2/c1-9(23)19-15-11(7-13(18(26)27)30-17(15)16(25)12(24)8-22)20-14(21-32(2,28)29)6-10-4-3-5-31-10/h3-5,7,11-12,15-17,22,24-25H,6,8H2,1-2H3,(H,19,23)(H,20,21)(H,26,27)/t11-,12+,15+,16+,17+/m0/s1	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay				Bioorg Med Chem 19: 2418-27 (2011) Article DOI: 10.1016/j.bmc.2011.02.010 BindingDB Entry DOI: 10.7270/Q2BZ66BM
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