Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'schmidtke' and Initial = 'm'   

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)	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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Hong Kong/1/1968(H3N2)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028503 (CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| 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/h7,10-13H,4-6H2,1-3H3,(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	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496023 (CHEMBL3120197) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(C)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C16H27N3O4/c1-5-12(6-2)23-14-8-11(16(21)22)7-13(18-9(3)17)15(14)19-10(4)20/h8,12-15H,5-7H2,1-4H3,(H2,17,18)(H,19,20)(H,21,22)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496212 (CHEMBL3125438) Show SMILES [H][C@]1(O[C@H]2OC[C@@](O)(COC(=O)\C=C\c3ccc(O)cc3)[C@@H]2O)[C@H](Oc2ccc(\C=C\C(=O)c3ccc(O)cc3O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C35H36O15/c36-16-27-29(42)30(43)31(50-34-32(44)35(45,18-47-34)17-46-28(41)14-6-19-1-7-21(37)8-2-19)33(49-27)48-23-10-3-20(4-11-23)5-13-25(39)24-12-9-22(38)15-26(24)40/h1-15,27,29-34,36-38,40,42-45H,16-18H2/b13-5+,14-6+/t27-,29-,30+,31-,32-,33-,34-,35+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					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	>100	n/a	n/a	n/a	n/a	n/a	n/a
Christian-Albrechts University of Kiel Curated by ChEMBL					Assay Description Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...				J Med Chem 57: 759-69 (2014) Article DOI: 10.1021/jm401492x BindingDB Entry DOI: 10.7270/Q21R6TG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50496209 (CHEMBL2204386) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2cc(-[#8])c3-[#8]C([#6])([#6])[#6]=[#6]-c3c2)c1-[#8] |c:24| Show InChI InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496207 (CHEMBL3125439) Show SMILES [H][C@@]1(O[C@H]2OC[C@@](O)(COC(=O)c3c[nH]c4ccccc34)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r| Show InChI InChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2/t25-,27+,28+,29-,30+,31+,33+,34+,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50441624 (GLABRONE) Show SMILES CC1(C)Oc2ccc(c(O)c2C=C1)-c1coc2cc(O)ccc2c1=O |c:12| Show InChI InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM69609 ((2S)-7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1 Show InChI InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50300188 (CHEMBL480470 | katsumadain A) Show SMILES O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O |r| Show InChI InChI=1S/C32H28O4/c33-26(18-16-23-10-4-1-5-11-23)20-28-21-29(25-14-8-3-9-15-25)31-30(35-28)22-27(36-32(31)34)19-17-24-12-6-2-7-13-24/h1-15,17,19,22,28-29H,16,18,20-21H2/b19-17+/t28-,29+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based enzyme inhibition assay				J Med Chem 53: 778-86 (2010) Article DOI: 10.1021/jm901440f BindingDB Entry DOI: 10.7270/Q2QV3MKZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496208 (HISPAGLABRIDIN B) Show SMILES CC1(C)Oc2ccc([C@@H]3COc4c(C3)ccc3OC(C)(C)C=Cc43)c(O)c2C=C1 |r,c:22,31| Show InChI InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496208 (HISPAGLABRIDIN B) Show SMILES CC1(C)Oc2ccc([C@@H]3COc4c(C3)ccc3OC(C)(C)C=Cc43)c(O)c2C=C1 |r,c:22,31| Show InChI InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496209 (CHEMBL2204386) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2cc(-[#8])c3-[#8]C([#6])([#6])[#6]=[#6]-c3c2)c1-[#8] |c:24| Show InChI InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50021398 (CHEBI:18088 | FORMONONETIN | NSC-93360) Show SMILES COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50157304 (3',5-di-2-propenyl-1,1'-biphenyl-2,4'-diol | 3',5-...) Show SMILES Oc1ccc(cc1CC=C)-c1cc(CC=C)ccc1O Show InChI InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of oseltamivir-resistant Influenza A virus H1N1 B/55/08 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50241408 ((2S)-liquiritigenin | 7-HYDROXY-2-(4-HYDROXY-PHENY...) Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2ccc(O)cc2O1 |r| Show InChI InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496208 (HISPAGLABRIDIN B) Show SMILES CC1(C)Oc2ccc([C@@H]3COc4c(C3)ccc3OC(C)(C)C=Cc43)c(O)c2C=C1 |r,c:22,31| Show InChI InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus J/8178/09 neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50496210 (CHEMBL3125437) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1cc(=O)c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2o1 Show InChI InChI=1S/C25H26O4/c1-15(2)5-7-17-11-19(9-10-21(17)26)24-14-23(28)20-12-18(8-6-16(3)4)22(27)13-25(20)29-24/h5-6,9-14,26-27H,7-8H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Puerto Rico/8/1934(H1N1)) neuraminidase by chemiluminescence based assay				J Nat Prod 77: 563-70 (2014) Article DOI: 10.1021/np400817j BindingDB Entry DOI: 10.7270/Q23J3GZJ
					More data for this Ligand-Target Pair

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