Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50036309   

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(...)	BDBM50040516 (3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[...) Show SMILES [#6]-[#6](=O)-[#7]-[#6]-1-[#6](-[#8]-[#6](=[#6]-[#6]-1\[#7+]=[#6](\[#7])-[#7])-[#6](-[#8-])=O)-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] |c:7| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50040515 (3-(acetylamino)-4-ammonio-2-[(1R,2R)-1,2,3-trihydr...) Show SMILES CC(=O)NC1C([NH3+])C=C(OC1[C@H](O)[C@H](O)CO)C([O-])=O |c:7| Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50032861 (5-((R)-Acetylamino)-4-hydroxy-6-((1R,2R)-1,2,3-tri...) Show SMILES CC(=O)NC1C(O)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5?,6-,8?,9-,10?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description inhibition of Influenza A Sialidase				J Med Chem 37: 616-24 (1994) Checked by Author BindingDB Entry DOI: 10.7270/Q27P901J
					More data for this Ligand-Target Pair