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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase (NA)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM4994
PNG
((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
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
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Article
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n/an/a 170n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234421
PNG
((S)-2-(2-(2-Aminopropanamido)thiazol-4-yl)acetic a...)
Show SMILES C[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C8H11N3O3S/c1-4(9)7(14)11-8-10-5(3-15-8)2-6(12)13/h3-4H,2,9H2,1H3,(H,12,13)(H,10,11,14)/t4-/m0/s1
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n/an/a 3.43E+3n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234425
PNG
(2-(2-((2S,3R)-2-Amino-3-methylpentanamido)thiazol-...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C11H17N3O3S/c1-3-6(2)9(12)10(17)14-11-13-7(5-18-11)4-8(15)16/h5-6,9H,3-4,12H2,1-2H3,(H,15,16)(H,13,14,17)/t6-,9+/m1/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234437
PNG
((S)-2-(2-(2-Amino-4-(methylthio)butanamido)thiazol...)
Show SMILES CSCC[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C10H15N3O3S2/c1-17-3-2-7(11)9(16)13-10-12-6(5-18-10)4-8(14)15/h5,7H,2-4,11H2,1H3,(H,14,15)(H,12,13,16)/t7-/m0/s1
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n/an/a 7.78E+3n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234429
PNG
((S)-2-(2-(2-Amino-3-methylbutanamido)thiazol-4-yl)...)
Show SMILES CC(C)[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C10H15N3O3S/c1-5(2)8(11)9(16)13-10-12-6(4-17-10)3-7(14)15/h4-5,8H,3,11H2,1-2H3,(H,14,15)(H,12,13,16)/t8-/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234424
PNG
(2-(2-((2S,3R)-2-(tert-Butoxycarbonylamino)-3-methy...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C16H25N3O5S/c1-6-9(2)12(18-15(23)24-16(3,4)5)13(22)19-14-17-10(8-25-14)7-11(20)21/h8-9,12H,6-7H2,1-5H3,(H,18,23)(H,20,21)(H,17,19,22)/t9-,12+/m1/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234433
PNG
((S)-2-(2-(2-Amino-4-methylpentanamido)thiazol-4-yl...)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C11H17N3O3S/c1-6(2)3-8(12)10(17)14-11-13-7(5-18-11)4-9(15)16/h5-6,8H,3-4,12H2,1-2H3,(H,15,16)(H,13,14,17)/t8-/m0/s1
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n/an/a 1.91E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234420
PNG
((S)-2-(2-(2-(tert-Butoxycarbonylamino)propanamido)...)
Show SMILES C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C13H19N3O5S/c1-7(14-12(20)21-13(2,3)4)10(19)16-11-15-8(6-22-11)5-9(17)18/h6-7H,5H2,1-4H3,(H,14,20)(H,17,18)(H,15,16,19)/t7-/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234441
PNG
((S)-2-(2-(2-Amino-3-phenylpropanamido)thiazol-4-yl...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C14H15N3O3S/c15-11(6-9-4-2-1-3-5-9)13(20)17-14-16-10(8-21-14)7-12(18)19/h1-5,8,11H,6-7,15H2,(H,18,19)(H,16,17,20)/t11-/m0/s1
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n/an/a 2.14E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234419
PNG
((S)-Ethyl 2-(2-(2-aminopropanamido)thiazol-4-yl)ac...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@H](C)N)n1
Show InChI InChI=1S/C10H15N3O3S/c1-3-16-8(14)4-7-5-17-10(12-7)13-9(15)6(2)11/h5-6H,3-4,11H2,1-2H3,(H,12,13,15)/t6-/m0/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234440
PNG
((S)-2-(2-(2-(tert-Butoxycarbonylamino)-3-phenylpro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C19H23N3O5S/c1-19(2,3)27-18(26)21-14(9-12-7-5-4-6-8-12)16(25)22-17-20-13(11-28-17)10-15(23)24/h4-8,11,14H,9-10H2,1-3H3,(H,21,26)(H,23,24)(H,20,22,25)/t14-/m0/s1
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n/an/a 3.42E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234423
PNG
(Ethyl 2-(2-((2S,3R)-2-amino-3-methylpentanamido)th...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](N)[C@H](C)CC)n1
Show InChI InChI=1S/C13H21N3O3S/c1-4-8(3)11(14)12(18)16-13-15-9(7-20-13)6-10(17)19-5-2/h7-8,11H,4-6,14H2,1-3H3,(H,15,16,18)/t8-,11+/m1/s1
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n/an/a 3.66E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234428
PNG
((S)-2-(2-(2-(tert-Butoxycarbonylamino)-3-methylbut...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C15H23N3O5S/c1-8(2)11(17-14(22)23-15(3,4)5)12(21)18-13-16-9(7-24-13)6-10(19)20/h7-8,11H,6H2,1-5H3,(H,17,22)(H,19,20)(H,16,18,21)/t11-/m0/s1
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n/an/a 3.83E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234427
PNG
((S)-Ethyl 2-(2-(2-amino-3-methylbutanamido)thiazol...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](N)C(C)C)n1
Show InChI InChI=1S/C12H19N3O3S/c1-4-18-9(16)5-8-6-19-12(14-8)15-11(17)10(13)7(2)3/h6-7,10H,4-5,13H2,1-3H3,(H,14,15,17)/t10-/m0/s1
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n/an/a 4.02E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234422
PNG
(Ethyl 2-(2-((2S,3R)-2-(tert-butoxycarbonylamino)-3...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)n1
Show InChI InChI=1S/C18H29N3O5S/c1-7-11(3)14(20-17(24)26-18(4,5)6)15(23)21-16-19-12(10-27-16)9-13(22)25-8-2/h10-11,14H,7-9H2,1-6H3,(H,20,24)(H,19,21,23)/t11-,14+/m1/s1
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n/an/a 4.03E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234436
PNG
((S)-2-(2-(2-(tert-Butoxycarbonylamino)-4-(methylth...)
Show SMILES CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C15H23N3O5S2/c1-15(2,3)23-14(22)17-10(5-6-24-4)12(21)18-13-16-9(8-25-13)7-11(19)20/h8,10H,5-7H2,1-4H3,(H,17,22)(H,19,20)(H,16,18,21)/t10-/m0/s1
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n/an/a 4.26E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234435
PNG
((S)-Ethyl 2-(2-(2-amino-4-(methylthio)butanamido)t...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](N)CCSC)n1
Show InChI InChI=1S/C12H19N3O3S2/c1-3-18-10(16)6-8-7-20-12(14-8)15-11(17)9(13)4-5-19-2/h7,9H,3-6,13H2,1-2H3,(H,14,15,17)/t9-/m0/s1
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n/an/a 4.52E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234418
PNG
((S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)propan...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C15H23N3O5S/c1-6-22-11(19)7-10-8-24-13(17-10)18-12(20)9(2)16-14(21)23-15(3,4)5/h8-9H,6-7H2,1-5H3,(H,16,21)(H,17,18,20)/t9-/m0/s1
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n/an/a 6.84E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234434
PNG
((S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)-4-(me...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C17H27N3O5S2/c1-6-24-13(21)9-11-10-27-15(18-11)20-14(22)12(7-8-26-5)19-16(23)25-17(2,3)4/h10,12H,6-9H2,1-5H3,(H,19,23)(H,18,20,22)/t12-/m0/s1
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n/an/a 8.11E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234438
PNG
((S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)-3-phe...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C21H27N3O5S/c1-5-28-17(25)12-15-13-30-19(22-15)24-18(26)16(11-14-9-7-6-8-10-14)23-20(27)29-21(2,3)4/h6-10,13,16H,5,11-12H2,1-4H3,(H,23,27)(H,22,24,26)/t16-/m0/s1
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n/an/a 9.59E+4n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234432
PNG
((S)-2-(2-(2-(tert-Butoxycarbonylamino)-4-methylpen...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C16H25N3O5S/c1-9(2)6-11(18-15(23)24-16(3,4)5)13(22)19-14-17-10(8-25-14)7-12(20)21/h8-9,11H,6-7H2,1-5H3,(H,18,23)(H,20,21)(H,17,19,22)/t11-/m0/s1
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n/an/a 1.27E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234417
PNG
(NA inhibitor, 3d)
Show SMILES NCC(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C7H9N3O3S/c8-2-5(11)10-7-9-4(3-14-7)1-6(12)13/h3H,1-2,8H2,(H,12,13)(H,9,10,11)
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n/an/a 1.28E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234430
PNG
((S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)-4-met...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C18H29N3O5S/c1-7-25-14(22)9-12-10-27-16(19-12)21-15(23)13(8-11(2)3)20-17(24)26-18(4,5)6/h10-11,13H,7-9H2,1-6H3,(H,20,24)(H,19,21,23)/t13-/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234423
PNG
(Ethyl 2-(2-((2S,3R)-2-amino-3-methylpentanamido)th...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](N)[C@H](C)CC)n1
Show InChI InChI=1S/C13H21N3O3S/c1-4-8(3)11(14)12(18)16-13-15-9(7-20-13)6-10(17)19-5-2/h7-8,11H,4-6,14H2,1-3H3,(H,15,16,18)/t8-,11+/m1/s1
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n/an/a 1.41E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234426
PNG
((S)-Ethyl 2-(2-(2-(tert-butoxycarbonylamino)-3-met...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1
Show InChI InChI=1S/C17H27N3O5S/c1-7-24-12(21)8-11-9-26-15(18-11)20-14(22)13(10(2)3)19-16(23)25-17(4,5)6/h9-10,13H,7-8H2,1-6H3,(H,19,23)(H,18,20,22)/t13-/m0/s1
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n/an/a 1.47E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234416
PNG
(NA inhibitor, 3c)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1nc(CC(O)=O)cs1
Show InChI InChI=1S/C12H17N3O5S/c1-12(2,3)20-11(19)13-5-8(16)15-10-14-7(6-21-10)4-9(17)18/h6H,4-5H2,1-3H3,(H,13,19)(H,17,18)(H,14,15,16)
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n/an/a 2.01E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234439
PNG
((S)-Ethyl 2-(2-(2-amino-3-phenylpropanamido)thiazo...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)[C@@H](N)Cc2ccccc2)n1
Show InChI InChI=1S/C16H19N3O3S/c1-2-22-14(20)9-12-10-23-16(18-12)19-15(21)13(17)8-11-6-4-3-5-7-11/h3-7,10,13H,2,8-9,17H2,1H3,(H,18,19,21)/t13-/m0/s1
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n/an/a 2.21E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234415
PNG
(NA inhibitor, 3b)
Show SMILES CCOC(=O)Cc1csc(NC(=O)CN)n1
Show InChI InChI=1S/C9H13N3O3S/c1-2-15-8(14)3-6-5-16-9(11-6)12-7(13)4-10/h5H,2-4,10H2,1H3,(H,11,12,13)
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n/an/a 3.13E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234413
PNG
(NA inhibitor, 1)
Show SMILES CC(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)
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n/an/a 3.58E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair
Neuraminidase (NA)


(Influenza A virus H3N2)
BDBM234414
PNG
(NA inhibitor, 3a)
Show SMILES CCOC(=O)Cc1csc(NC(=O)CNC(=O)OC(C)(C)C)n1
Show InChI InChI=1S/C14H21N3O5S/c1-5-21-11(19)6-9-8-23-12(16-9)17-10(18)7-15-13(20)22-14(2,3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,16,17,18)
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n/an/a 4.11E+5n/an/an/an/an/an/a



Shandong University



Assay Description
NA inhibitory activity was determined by the commercial NA inhibitory screening kit (Beyotime Institute of Biotechnology, Jiangsu, China). The reacti...


J Enzyme Inhib Med Chem 26: 506-13 (2011)


Article DOI: 10.3109/14756366.2010.534732
BindingDB Entry DOI: 10.7270/Q20P0XWB
More data for this
Ligand-Target Pair