Compile Data Set for Download or QSAR

Found 190 hits with Last Name = 'cheng' and Initial = 'tj'   

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)	BDBM50401401 (CHEMBL2206459) 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)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
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	0.0700	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401401 (CHEMBL2206459) 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)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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)	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/TrEMBL 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 Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-M...				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
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 (strain A/Udorn/307/1972 H3N2))	BDBM50401401 (CHEMBL2206459) 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)P([#8])([#8])=O |r,c:7| Show InChI InChI=1S/C14H27N4O5P/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H2,20,21,22)/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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					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	0.400	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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 (strain A/Wilson-Smith/1933 H1N1...)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464877 (CHEMBL4288789) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C28H42N6O8/c1-4-17(5-2)24(33-15(3)35)23-19(34-27(29)30)14-18(26(39)40)25(23)42-28(41)32-12-6-11-31-22(38)10-8-16-7-9-20(36)21(37)13-16/h7-10,13,17-19,23-25,36-37H,4-6,11-12,14H2,1-3H3,(H,31,38)(H,32,41)(H,33,35)(H,39,40)(H4,29,30,34)/b10-8+/t18-,19+,23+,24-,25+/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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50181447 (CHEMBL3819487) 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)OCCCCCC |r| Show InChI InChI=1S/C20H41N4O5P/c1-5-8-9-10-11-29-30(27,28)16-12-15(24-20(21)22)17(19(16)26)18(23-13(4)25)14(6-2)7-3/h14-19,26H,5-12H2,1-4H3,(H,23,25)(H,27,28)(H4,21,22,24)/t15-,16+,17-,18+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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)	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
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	0.600	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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	0.600	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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)	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Brisbane/10/2007(H3N2) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate as...				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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464875 (CHEMBL4285430) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCO)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C19H35N5O6/c1-4-11(5-2)15(23-10(3)26)14-13(24-18(20)21)9-12(17(27)28)16(14)30-19(29)22-7-6-8-25/h11-16,25H,4-9H2,1-3H3,(H,22,29)(H,23,26)(H,27,28)(H4,20,21,24)/t12-,13+,14+,15-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464874 (CHEMBL4278125) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOCCCc1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C28H45N5O8/c1-4-18(5-2)24(32-16(3)34)23-20(33-27(29)30)15-19(26(37)38)25(23)41-28(39)31-11-7-13-40-12-6-8-17-9-10-21(35)22(36)14-17/h9-10,14,18-20,23-25,35-36H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)(H,37,38)(H4,29,30,33)/t19-,20+,23+,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50486064 (CHEMBL2205840) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1ccc2ccccc2c1O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C27H33N5O11/c1-13(34)31-20-17(32-26(28)29)11-19(24(37)38)42-23(20)22(18(35)12-33)43-27(40)30-9-4-10-41-25(39)16-8-7-14-5-2-3-6-15(14)21(16)36/h2-3,5-8,11,17-18,20,22-23,33,35-36H,4,9-10,12H2,1H3,(H,30,40)(H,31,34)(H,37,38)(H4,28,29,32)/t17-,18+,20+,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrat...				J Med Chem 55: 8493-501 (2012) Article DOI: 10.1021/jm3009844 BindingDB Entry DOI: 10.7270/Q21V5HTD
					More data for this Ligand-Target Pair
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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Brisbane/10/2007(H3N2) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate as...				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/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic flu...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Shanghai/01/2014(H7N9) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate as...				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)	BDBM50181446 (CHEMBL3819450) 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)OCC |r| Show InChI InChI=1S/C16H33N4O5P/c1-5-10(6-2)14(19-9(4)21)13-11(20-16(17)18)8-12(15(13)22)26(23,24)25-7-3/h10-15,22H,5-8H2,1-4H3,(H,19,21)(H,23,24)(H4,17,18,20)/t11-,12+,13-,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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464876 (CHEMBL4288995) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C28H41N5O9/c1-4-17(5-2)24(32-15(3)34)23-19(33-27(29)30)14-18(26(38)39)25(23)42-28(40)31-11-6-12-41-22(37)10-8-16-7-9-20(35)21(36)13-16/h7-10,13,17-19,23-25,35-36H,4-6,11-12,14H2,1-3H3,(H,31,40)(H,32,34)(H,38,39)(H4,29,30,33)/b10-8+/t18-,19+,23+,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	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 Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					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)
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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464872 (CHEMBL4293261) Show SMILES OC(=O)C(F)(F)F.[H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCN)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C19H36N6O5.C2HF3O2/c1-4-11(5-2)15(24-10(3)26)14-13(25-18(21)22)9-12(17(27)28)16(14)30-19(29)23-8-6-7-20;3-2(4,5)1(6)7/h11-16H,4-9,20H2,1-3H3,(H,23,29)(H,24,26)(H,27,28)(H4,21,22,25);(H,6,7)/t12-,13+,14+,15-,16+;/m0./s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464873 (CHEMBL4280263) Show SMILES CCC(CC)OC1C=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 MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...				Eur J Med Chem 154: 314-323 (2018) Article DOI: 10.1016/j.ejmech.2018.05.030 BindingDB Entry DOI: 10.7270/Q2MC92JD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...				Eur J Med Chem 154: 314-323 (2018) Article DOI: 10.1016/j.ejmech.2018.05.030 BindingDB Entry DOI: 10.7270/Q2MC92JD
					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	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Shanghai/01/2014(H7N9) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate as...				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 (A/Puerto Rico/8/34/Mount Sinai(...)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) wild type neuraminidase using MUNANA as substrate preincubated for 10 mins followed by substrate a...				Eur J Med Chem 154: 314-323 (2018) Article DOI: 10.1016/j.ejmech.2018.05.030 BindingDB Entry DOI: 10.7270/Q2MC92JD
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50181439 (CHEMBL3818211) Show SMILES [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCC)[C@@H](NC(C)=O)C(CC)CC |r| Show InChI InChI=1S/C16H33N4O4P/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/h11-15H,5-9H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t12-,13-,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	1	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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 (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464876 (CHEMBL4288995) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C28H41N5O9/c1-4-17(5-2)24(32-15(3)34)23-19(33-27(29)30)14-18(26(38)39)25(23)42-28(40)31-11-6-12-41-22(37)10-8-16-7-9-20(35)21(36)13-16/h7-10,13,17-19,23-25,35-36H,4-6,11-12,14H2,1-3H3,(H,31,40)(H,32,34)(H,38,39)(H4,29,30,33)/b10-8+/t18-,19+,23+,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) neuraminidase pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50401400 (CHEMBL2206932) Show SMILES [#6]-[#6]-[#8]P([#8])(=O)[#6]-1=[#6]-[#6@@H](-[#8]-[#6](-[#6]-[#6])-[#6]-[#6])-[#6@H](-[#7]-[#6](-[#6])=O)-[#6@H](-[#6]-1)\[#7]=[#6](\[#7])-[#7] |r,t:6| Show InChI InChI=1S/C16H31N4O5P/c1-5-11(6-2)25-14-9-12(26(22,23)24-7-3)8-13(20-16(17)18)15(14)19-10(4)21/h9,11,13-15H,5-8H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50529805 (CHEMBL4562671) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7| Show InChI InChI=1S/C14H26N4O5S/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB KEGG 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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50529805 (CHEMBL4562671) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7| Show InChI InChI=1S/C14H26N4O5S/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H,20,21,22)/t11-,12+,13+/m0/s1	PDB MMDB KEGG 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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50181437 (CHEMBL3819314) Show SMILES [H][C@]1(C=C(C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r,c:2| Show InChI InChI=1S/C20H39N4O4P/c1-5-8-9-10-11-28-29(26,27)16-12-17(18(13-16)24-20(21)22)19(23-14(4)25)15(6-2)7-3/h12,15,17-19H,5-11,13H2,1-4H3,(H,23,25)(H,26,27)(H4,21,22,24)/t17-,18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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)	BDBM50181440 (CHEMBL3818553) Show SMILES [H][C@]1(C[C@H](C[C@H]1NC(N)=N)P(O)(=O)OCCCCCC)[C@@H](NC(C)=O)C(CC)CC |r| Show InChI InChI=1S/C20H41N4O4P/c1-5-8-9-10-11-28-29(26,27)16-12-17(18(13-16)24-20(21)22)19(23-14(4)25)15(6-2)7-3/h15-19H,5-13H2,1-4H3,(H,23,25)(H,26,27)(H4,21,22,24)/t16-,17-,18-,19+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	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/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA a...				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 (strain A/Udorn/307/1972 H3N2))	BDBM50401399 (CHEMBL2206456) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)P(O)(O)=O |r,c:7| Show InChI InChI=1S/C13H25N2O5P/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H2,17,18,19)/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Research Center Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylne...				J Med Chem 55: 8657-70 (2012) Article DOI: 10.1021/jm3008486 BindingDB Entry DOI: 10.7270/Q2B27WFN
					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	1.70	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 neuraminidase H275Y mutant transfected in HEK293 cells us...				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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50529806 (CHEMBL4440605) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7| Show InChI InChI=1S/C13H24N2O5S/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB KEGG 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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
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	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50529806 (CHEMBL4440605) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7| Show InChI InChI=1S/C13H24N2O5S/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18,19)/t11-,12+,13+/m0/s1	PDB MMDB KEGG 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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...				Eur J Med Chem 163: 710-721 (2019) Article DOI: 10.1016/j.ejmech.2018.12.027 BindingDB Entry DOI: 10.7270/Q2XG9VMN
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50464877 (CHEMBL4288789) Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r| Show InChI InChI=1S/C28H42N6O8/c1-4-17(5-2)24(33-15(3)35)23-19(34-27(29)30)14-18(26(39)40)25(23)42-28(41)32-12-6-11-31-22(38)10-8-16-7-9-20(36)21(37)13-16/h7-10,13,17-19,23-25,36-37H,4-6,11-12,14H2,1-3H3,(H,31,38)(H,32,41)(H,33,35)(H,39,40)(H4,29,30,34)/b10-8+/t18-,19+,23+,24-,25+/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
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA subs...				Eur J Med Chem 145: 224-234 (2018) Article DOI: 10.1016/j.ejmech.2017.12.072 BindingDB Entry DOI: 10.7270/Q22R3VBS
					More data for this Ligand-Target Pair

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