Compile Data Set for Download or QSAR

Found 116 hits of ki data for polymerid = 50004392,50004401,50004616,50004677,50004678,50004679,50004680,50004823,50006082,50006240   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083326 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:9| Show InChI InChI=1S/C14H25N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11,13,22-23H,4-5H2,1-3H3,(H,17,20)(H4,15,16,18)/t8-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					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	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083322 (3-Acetylamino-2-diethylcarbamoyl-6-dihydroxymethyl...) Show SMILES CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:9| Show InChI InChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11,13,19-20H,4-5,14H2,1-3H3,(H,15,17)/p+1/t8-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50343682 (((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...) Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8| Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083320 (3-Acetylamino-6-dihydroxymethyl-2-(phenethyl-propy...) Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:17| Show InChI InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18,20,26-27H,3,9-11,21H2,1-2H3,(H,22,24)/p+1/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083327 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:17| Show InChI InChI=1S/C21H31N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18,20,29-30H,3,9-11H2,1-2H3,(H,24,27)(H4,22,23,25)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM5024 ((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...) Show SMILES [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(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 MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
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(...)	BDBM50083333 (CHEMBL348207 | N-[6-Dihydroxymethyl-4-guanidino-2-...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])-[#8])\[#7]=[#6](\[#7])-[#7] |c:6| Show InChI InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-11,17,19-22H,3H2,1H3,(H,15,18)(H4,13,14,16)/t5-,6+,8+,9?,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50343681 ((3S,4R,5R)-4-Acetamido-3-amino-5-(1-ethylpropoxy)c...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8| 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/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083328 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:7| Show InChI InChI=1S/C12H21N5O5/c1-5(18)15-8-6(16-12(13)14)4-7(11(20)21)22-9(8)10(19)17(2)3/h4,6,8-9,11,20-21H,1-3H3,(H,15,18)(H4,13,14,16)/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50365357 (CHEMBL4168935) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C20H33N7O5/c1-5-11(6-2)32-15-8-12(19(30)31)18(27-9-13(25-26-27)14(29)7-3)17(24-20(21)22)16(15)23-10(4)28/h8-9,11,14-18,29H,5-7H2,1-4H3,(H,23,28)(H,30,31)(H4,21,22,24)/t14?,15-,16+,17-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H3N2) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50359308 (CHEMBL1928608) Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis				Antimicrob Agents Chemother 53: 3088-96 (2009) Article DOI: 10.1128/AAC.01667-08 BindingDB Entry DOI: 10.7270/Q2VM4CHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay				Bioorg Med Chem 27: 2935-2947 (2019) Article DOI: 10.1016/j.bmc.2019.05.024 BindingDB Entry DOI: 10.7270/Q2XP7870
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50365364 (CHEMBL4161008) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C19H31N5O5/c1-5-11(6-2)29-15-8-12(19(27)28)18(16(20)17(15)21-10(4)25)24-9-13(22-23-24)14(26)7-3/h8-9,11,14-18,26H,5-7,20H2,1-4H3,(H,21,25)(H,27,28)/t14?,15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H3N2) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083324 ((2R,3R,4S)-3-Acetylamino-6-dihydroxymethyl-2-((R)-...) Show SMILES CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7| Show InChI InChI=1S/C11H20N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-11,14,16-19H,3,12H2,1H3,(H,13,15)/p+1/t5-,6+,8+,9?,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					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(...)	BDBM50451267 (CHEMBL4204078) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ncccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C28H27N5O4/c1-35-26-12-19(15-31-7-9-32(10-8-31)28-29-4-2-5-30-28)20-13-23-21-14-25-24(36-17-37-25)11-18(21)3-6-33(23)16-22(20)27(26)34/h2,4-5,11-14,16H,3,6-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343684 ((3S,4R,5R)-4-Acetamido-5-(1-ethyl-propoxy)-3-[4-(1...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16?,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50365364 (CHEMBL4161008) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C19H31N5O5/c1-5-11(6-2)29-15-8-12(19(27)28)18(16(20)17(15)21-10(4)25)24-9-13(22-23-24)14(26)7-3/h8-9,11,14-18,26H,5-7,20H2,1-4H3,(H,21,25)(H,27,28)/t14?,15-,16-,17+,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H1N1) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50365357 (CHEMBL4168935) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C20H33N7O5/c1-5-11(6-2)32-15-8-12(19(30)31)18(27-9-13(25-26-27)14(29)7-3)17(24-20(21)22)16(15)23-10(4)28/h8-9,11,14-18,29H,5-7H2,1-4H3,(H,23,28)(H,30,31)(H4,21,22,24)/t14?,15-,16+,17-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H1N1) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083332 ((2R,3R,4R)-3-Acetylamino-6-dihydroxymethyl-2-((R)-...) Show SMILES CC(=O)N[C@@H]1[C@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7| Show InChI InChI=1S/C11H20N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-11,14,16-19H,3,12H2,1H3,(H,13,15)/p+1/t5-,6-,8-,9?,10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343685 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451253 (CHEMBL4214358) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C29H28N4O4/c1-35-27-13-20(16-31-8-10-32(11-9-31)28-4-2-3-6-30-28)21-14-24-22-15-26-25(36-18-37-26)12-19(22)5-7-33(24)17-23(21)29(27)34/h2-4,6,12-15,17H,5,7-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451268 (CHEMBL4216355) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C34H31N3O4/c1-39-33-16-25(19-35-10-12-36(13-11-35)26-7-6-22-4-2-3-5-23(22)14-26)27-17-30-28-18-32-31(40-21-41-32)15-24(28)8-9-37(30)20-29(27)34(33)38/h2-7,14-18,20H,8-13,19,21H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451256 (CHEMBL4212214) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-12-20(16-32-7-9-33(10-8-32)22-4-2-3-21(31)13-22)23-14-26-24-15-28-27(37-18-38-28)11-19(24)5-6-34(26)17-25(23)30(29)35/h2-4,11-15,17H,5-10,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451273 (CHEMBL4212028) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H31N3O4/c1-20-3-5-23(6-4-20)33-11-9-32(10-12-33)17-22-14-30(36-2)31(35)26-18-34-8-7-21-13-28-29(38-19-37-28)16-25(21)27(34)15-24(22)26/h3-6,13-16,18H,7-12,17,19H2,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083325 (3-Acetylamino-6-dihydroxymethyl-2-dimethylcarbamoy...) Show SMILES CN(C)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7| Show InChI InChI=1S/C11H19N3O5/c1-5(15)13-8-6(12)4-7(11(17)18)19-9(8)10(16)14(2)3/h4,6,8-9,11,17-18H,12H2,1-3H3,(H,13,15)/p+1/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451264 (CHEMBL4217558) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27Cl2N3O4/c1-37-28-12-19(15-33-7-9-34(10-8-33)24-4-2-3-23(31)29(24)32)20-13-25-21-14-27-26(38-17-39-27)11-18(21)5-6-35(25)16-22(20)30(28)36/h2-4,11-14,16H,5-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451252 (CHEMBL4206473) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27F2N3O4/c1-37-29-11-19(15-33-6-8-34(9-7-33)25-3-2-20(31)12-24(25)32)21-13-26-22-14-28-27(38-17-39-28)10-18(22)4-5-35(26)16-23(21)30(29)36/h2-3,10-14,16H,4-9,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451265 (CHEMBL4203463) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H33N3O4/c1-20-4-5-27(21(2)12-20)34-10-8-33(9-11-34)17-23-14-31(37-3)32(36)26-18-35-7-6-22-13-29-30(39-19-38-29)16-25(22)28(35)15-24(23)26/h4-5,12-16,18H,6-11,17,19H2,1-3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50343683 ((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(3-...) Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8| Show InChI InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of influenza A nuraminidase N1				J Med Chem 53: 7377-91 (2010) Article DOI: 10.1021/jm100822f BindingDB Entry DOI: 10.7270/Q2S75K5B
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50510691 (CHEMBL4452271) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CCO)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C19H31N5O5/c1-4-15(5-2)29-17-9-13(19(27)28)8-16(18(17)21-12(3)26)20-10-14-11-24(6-7-25)23-22-14/h9,11,15-18,20,25H,4-8,10H2,1-3H3,(H,21,26)(H,27,28)/t16-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay				Bioorg Med Chem 27: 2935-2947 (2019) Article DOI: 10.1016/j.bmc.2019.05.024 BindingDB Entry DOI: 10.7270/Q2XP7870
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451258 (CHEMBL4214276) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28FN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)22-4-2-21(31)3-5-22)23-14-26-24-15-28-27(37-18-38-28)12-19(24)6-7-34(26)17-25(23)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451254 (CHEMBL3233169) Show SMILES [Cl-].COc1cc(CN2CCOCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C24H24N2O5/c1-28-23-9-16(12-25-4-6-29-7-5-25)17-10-20-18-11-22-21(30-14-31-22)8-15(18)2-3-26(20)13-19(17)24(23)27/h8-11,13H,2-7,12,14H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451260 (CHEMBL4208751) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(OC(F)(F)F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H28F3N3O5/c1-39-29-13-20(16-35-8-10-36(11-9-35)21-2-4-22(5-3-21)42-31(32,33)34)23-14-26-24-15-28-27(40-18-41-28)12-19(24)6-7-37(26)17-25(23)30(29)38/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451272 (CHEMBL4212505) Show SMILES [Cl-].COc1cc(Cn2c3ccccc3c3ccccc23)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H24N2O4/c1-36-31-13-20(16-34-26-8-4-2-6-21(26)22-7-3-5-9-27(22)34)23-14-28-24-15-30-29(37-18-38-30)12-19(24)10-11-33(28)17-25(23)32(31)35/h2-9,12-15,17H,10-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451270 (CHEMBL4205600) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C37H35N3O4/c1-42-35-19-28(22-38-14-16-39(17-15-38)36(25-8-4-2-5-9-25)26-10-6-3-7-11-26)29-20-32-30-21-34-33(43-24-44-34)18-27(30)12-13-40(32)23-31(29)37(35)41/h2-11,18-21,23,36H,12-17,22,24H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451269 (CHEMBL4213528) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H29N3O5/c1-37-29-14-22(17-32-9-11-33(12-10-32)31(36)20-5-3-2-4-6-20)23-15-26-24-16-28-27(38-19-39-28)13-21(24)7-8-34(26)18-25(23)30(29)35/h2-6,13-16,18H,7-12,17,19H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451271 (CHEMBL3233166) Show SMILES [Cl-].COc1cc(CN2CCCCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C25H26N2O4/c1-29-24-10-17(13-26-6-3-2-4-7-26)18-11-21-19-12-23-22(30-15-31-23)9-16(19)5-8-27(21)14-20(18)25(24)28/h9-12,14H,2-8,13,15H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50510686 (CHEMBL4524995) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(C)(CO)CO)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C22H37N5O6/c1-5-17(6-2)33-19-8-15(21(31)32)7-18(20(19)24-14(3)30)23-9-16-10-27(26-25-16)11-22(4,12-28)13-29/h8,10,17-20,23,28-29H,5-7,9,11-13H2,1-4H3,(H,24,30)(H,31,32)/t18-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay				Bioorg Med Chem 27: 2935-2947 (2019) Article DOI: 10.1016/j.bmc.2019.05.024 BindingDB Entry DOI: 10.7270/Q2XP7870
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50510690 (CHEMBL4448803) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cn(CC(=O)NC)nn2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C20H32N6O5/c1-5-15(6-2)31-17-8-13(20(29)30)7-16(19(17)23-12(3)27)22-9-14-10-26(25-24-14)11-18(28)21-4/h8,10,15-17,19,22H,5-7,9,11H2,1-4H3,(H,21,28)(H,23,27)(H,29,30)/t16-,17+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University Curated by ChEMBL					Assay Description Inhibition of influenza A virus chicken/Nakorn-Patom/Thailand/CU-K2-2004 Neuraminidase N1 at pH 7.4 by DIANA assay				Bioorg Med Chem 27: 2935-2947 (2019) Article DOI: 10.1016/j.bmc.2019.05.024 BindingDB Entry DOI: 10.7270/Q2XP7870
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 116 total )  |  Next  |  Last  >>

Jump to: