Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase' and Ligand = 'BDBM4993'   

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
Sialidase (Clostridium perfringens)	BDBM4993 ((3R,4R,5S)-5-amino-3-[(2S)-butan-2-yloxy]-4-acetam...) Show SMILES CC[C@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6| Show InChI InChI=1S/C13H22N2O4/c1-4-7(2)19-11-6-9(13(17)18)5-10(14)12(11)15-8(3)16/h6-7,10-12H,4-5,14H2,1-3H3,(H,15,16)(H,17,18)/t7-,10-,11+,12+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as subst...				Bioorg Med Chem Lett 27: 5429-5435 (2017) Article DOI: 10.1016/j.bmcl.2017.11.003 BindingDB Entry DOI: 10.7270/Q2QZ2DJP
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