Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50320774'   

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
Neuraminidase (Influenza A virus)	BDBM50320774 (5-Acetamido-2,6-anhydro-4-[N'-(4-aminobutyl)guanid...) Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)NCCCCN |r,w:20.21,c:6| Show InChI InChI=1S/C16H29N5O7/c1-8(23)20-12-9(21-16(18)19-5-3-2-4-17)6-11(15(26)27)28-14(12)13(25)10(24)7-22/h6,9-10,12-14,22,24-25H,2-5,7,17H2,1H3,(H,20,23)(H,26,27)(H3,18,19,21)/t9-,10+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase				Bioorg Med Chem 18: 4074-84 (2010) Article DOI: 10.1016/j.bmc.2010.04.010 BindingDB Entry DOI: 10.7270/Q2WD41KC
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