Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047661   

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)	BDBM50181441 (BCX-1812 | CHEBI:85202 | Peramivir) Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r| Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50181444 (CHEMBL3818436) Show SMILES [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(O)=O)[C@@H](NC(C)=O)C(CC)CC |r,c:2| Show InChI InChI=1S/C14H27N4O4P/c1-4-9(5-2)13(17-8(3)19)11-6-10(23(20,21)22)7-12(11)18-14(15)16/h6,9,11-13H,4-5,7H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/t11-,12-,13+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| 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)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50181445 (CHEMBL3819617) Show SMILES [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2| Show InChI InChI=1S/C16H31N4O4P/c1-5-11(6-2)15(19-10(4)21)13-8-12(25(22,23)24-7-3)9-14(13)20-16(17)18/h8,11,13-15H,5-7,9H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50181442 (CHEMBL3819492) Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)P(O)(O)=O |r| Show InChI InChI=1S/C14H29N4O5P/c1-4-8(5-2)12(17-7(3)19)11-9(18-14(15)16)6-10(13(11)20)24(21,22)23/h8-13,20H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,21,22,23)/t9-,10+,11-,12+,13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus A/Vietnam/1194/2004(H5N1) recombinant wild type neuraminidase transfected in HEK293 cells using...				J Med Chem 59: 5297-310 (2016) Article DOI: 10.1021/acs.jmedchem.6b00029 BindingDB Entry DOI: 10.7270/Q27M09VX
					More data for this Ligand-Target Pair				3D Structure (crystal)