Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-1' and Ligand = 'BDBM50465966'   

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))	BDBM50465966 (CHEMBL4294428) Show SMILES [H][C@]1(OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CNC(=O)CCCCC |r,c:3| Show InChI InChI=1S/C17H28N2O8/c1-3-4-5-6-13(23)18-8-11(22)15(24)16-14(19-9(2)20)10(21)7-12(27-16)17(25)26/h7,10-11,14-16,21-22,24H,3-6,8H2,1-2H3,(H,18,23)(H,19,20)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+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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