Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-1' and Ligand = 'BDBM50331678'   

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))	BDBM50331678 ((2R,3R,4S)-3-acetamido-2-((1R,2R)-1,2-dihydroxy-3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)Cn1cc(CO)nn1)C(O)=O |r,c:7| Show InChI InChI=1S/C14H20N4O8/c1-6(20)15-11-8(21)2-10(14(24)25)26-13(11)12(23)9(22)4-18-3-7(5-19)16-17-18/h2-3,8-9,11-13,19,21-23H,4-5H2,1H3,(H,15,20)(H,24,25)/t8-,9+,11+,12+,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 NEU1 using 4-MU-NANA as substrate preincubated for 15 mins before substrate addition measured after 30 mins by fluorescence plate...				ACS Med Chem Lett 4: 532-7 (2013) Article DOI: 10.1021/ml400080t BindingDB Entry DOI: 10.7270/Q25H7HNQ
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