Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-1' and Ligand = 'BDBM50331694'   

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-1 (Homo sapiens (Human))	BDBM50331694 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-benzamido-1,2-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccccc1)C(O)=O |r,c:7| Show InChI InChI=1S/C18H22N2O8/c1-9(21)20-14-11(22)7-13(18(26)27)28-16(14)15(24)12(23)8-19-17(25)10-5-3-2-4-6-10/h2-7,11-12,14-16,22-24H,8H2,1H3,(H,19,25)(H,20,21)(H,26,27)/t11-,12+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NEU1 expressed in HEK293 cells using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition an...				J Med Chem 61: 11261-11279 (2018) Article DOI: 10.1021/acs.jmedchem.8b01411 BindingDB Entry DOI: 10.7270/Q2GF0X5V
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