Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50222712'   

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50222712 (CHEMBL351695) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@]1([H])OCCC[C@@H](O)[C@H]1O |c:3| Show InChI InChI=1S/C15H24N4O7/c1-6(20)18-10-7(19-15(16)17)5-9(14(23)24)26-12(10)13-11(22)8(21)3-2-4-25-13/h5,7-8,10-13,21-22H,2-4H2,1H3,(H,18,20)(H,23,24)(H4,16,17,19)/t7-,8+,10+,11+,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33.3	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against influenza A virus sialidase A/PR/8/34				Bioorg Med Chem Lett 13: 669-73 (2003) BindingDB Entry DOI: 10.7270/Q2P84F3T
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