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Compile Data Set for Download or QSAR

Found 62 hits of ic50 for UniProtKB: P03470   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50401401
PNG
(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
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n/an/a 0.0900n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50181441
PNG
(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
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n/an/a 0.400n/an/an/an/an/an/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
PNG
(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
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n/an/a 0.440n/an/an/an/an/an/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
PNG
(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
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n/an/a 0.480n/an/an/an/an/an/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...)		BDBM50464875
PNG
(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
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n/an/a 0.640n/an/an/an/an/an/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
PNG
(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
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n/an/a 0.670n/an/an/an/an/an/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...)		BDBM50486064
PNG
(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
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n/an/a 0.700n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((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
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n/an/a 0.800n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464876
PNG
(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
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n/an/a 0.900n/an/an/an/an/an/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...)		BDBM50464872
PNG
(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
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n/an/a 0.940n/an/an/an/an/an/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
PNG
(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
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n/an/a 0.990n/an/an/an/an/an/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...)		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 |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
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n/an/a 1n/an/an/an/an/an/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
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((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
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n/an/a 1n/an/an/an/an/an/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
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50028503
PNG
(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
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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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464876
PNG
(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
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n/an/a 1.10n/an/an/an/an/an/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
PNG
(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
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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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50464877
PNG
(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
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n/an/a 1.80n/an/an/an/an/an/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...)		BDBM50206326
PNG
(CHEMBL3973923)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H33N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h7-8,12-13,15,18-20,30,32,34H,2-6,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50401399
PNG
(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
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n/an/a 2.40n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((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
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n/an/a 2.40n/an/an/an/an/an/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		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		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 |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
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n/an/a 2.60n/an/an/an/an/an/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		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486073
PNG
(CHEMBL2205841)
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)c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H31N5O12/c1-10(30)27-17-12(28-22(24)25)8-16(20(34)35)39-19(17)18(15(33)9-29)40-23(37)26-5-2-6-38-21(36)11-3-4-13(31)14(32)7-11/h3-4,7-8,12,15,17-19,29,31-33H,2,5-6,9H2,1H3,(H,26,37)(H,27,30)(H,34,35)(H4,24,25,28)/t12-,15+,17+,18+,19+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486063
PNG
(CHEMBL2205837)
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)\C=C\c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C25H33N5O12/c1-12(32)29-20-14(30-24(26)27)10-18(23(37)38)41-22(20)21(17(35)11-31)42-25(39)28-7-2-8-40-19(36)6-4-13-3-5-15(33)16(34)9-13/h3-6,9-10,14,17,20-22,31,33-35H,2,7-8,11H2,1H3,(H,28,39)(H,29,32)(H,37,38)(H4,26,27,30)/b6-4+/t14-,17+,20+,21+,22+/m0/s1
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n/an/a 2.90n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50330326
PNG
((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
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n/an/a 2.90n/an/an/an/an/an/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		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50401398
PNG
(CHEMBL2206458)
Show SMILES CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:6|
Show InChI InChI=1S/C15H29N2O5P/c1-5-11(6-2)22-14-9-12(23(19,20)21-7-3)8-13(16)15(14)17-10(4)18/h9,11,13-15H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)/t13-,14+,15+/m0/s1
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n/an/a 3n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486072
PNG
(CHEMBL2205844)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCNC(=O)c1ccc2ccccc2c1O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C27H34N6O10/c1-13(35)32-20-17(33-26(28)29)11-19(25(39)40)42-23(20)22(18(36)12-34)43-27(41)31-10-4-9-30-24(38)16-8-7-14-5-2-3-6-15(14)21(16)37/h2-3,5-8,11,17-18,20,22-23,34,36-37H,4,9-10,12H2,1H3,(H,30,38)(H,31,41)(H,32,35)(H,39,40)(H4,28,29,33)/t17-,18+,20+,22+,23+/m0/s1
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n/an/a 3.10n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486062
PNG
(CHEMBL2205838)
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)\C=C\c1ccc2OCOc2c1)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C26H33N5O12/c1-13(33)30-21-15(31-25(27)28)10-19(24(36)37)42-23(21)22(16(34)11-32)43-26(38)29-7-2-8-39-20(35)6-4-14-3-5-17-18(9-14)41-12-40-17/h3-6,9-10,15-16,21-23,32,34H,2,7-8,11-12H2,1H3,(H,29,38)(H,30,33)(H,36,37)(H4,27,28,31)/b6-4+/t15-,16+,21+,22+,23+/m0/s1
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n/an/a 5.40n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206328
PNG
(CHEMBL3932696)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2OC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O9/c1-11(32)25-19-13(7-17(22(36)37)39-21(19)20(35)15(33)10-31)26-23(24)27-18(34)9-30-8-14(28-29-30)12-5-3-4-6-16(12)38-2/h3-8,13,15,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,19+,20+,21+/m0/s1
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n/an/a 8n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50413053
PNG
(CHEMBL4172062)
Show SMILES CCCCCCCC(=O)\N=C(/N)N[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O |r,c:15|
Show InChI InChI=1S/C23H40N4O5/c1-5-8-9-10-11-12-20(29)27-23(24)26-18-13-16(22(30)31)14-19(21(18)25-15(4)28)32-17(6-2)7-3/h14,17-19,21H,5-13H2,1-4H3,(H,25,28)(H,30,31)(H3,24,26,27,29)/t18-,19+,21+/m0/s1
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n/an/a 8n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486066
PNG
(CHEMBL2205839)
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)c1cc(N)ccc1O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H32N6O11/c1-10(31)28-17-13(29-22(25)26)8-16(20(34)35)39-19(17)18(15(33)9-30)40-23(37)27-5-2-6-38-21(36)12-7-11(24)3-4-14(12)32/h3-4,7-8,13,15,17-19,30,32-33H,2,5-6,9,24H2,1H3,(H,27,37)(H,28,31)(H,34,35)(H4,25,26,29)/t13-,15+,17+,18+,19+/m0/s1
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n/an/a 8.60n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206329
PNG
(CHEMBL3982739)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(Cl)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26ClN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206323
PNG
(CHEMBL3924843)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:26|
Show InChI InChI=1S/C22H27N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h2-8,13,15,18-20,30,32,34H,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20?/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206322
PNG
(CHEMBL3974750)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(N)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486069
PNG
(CHEMBL2205842)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCO)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C16H27N5O9/c1-7(24)20-11-8(21-15(17)18)5-10(14(26)27)29-13(11)12(9(25)6-23)30-16(28)19-3-2-4-22/h5,8-9,11-13,22-23,25H,2-4,6H2,1H3,(H,19,28)(H,20,24)(H,26,27)(H4,17,18,21)/t8-,9+,11+,12+,13+/m0/s1
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n/an/a 12n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206355
PNG
(CHEMBL3936449)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(N)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-2-4-12(23)5-3-11/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206330
PNG
(CHEMBL3966255)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(OC)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O9/c1-11(32)25-19-14(7-17(22(36)37)39-21(19)20(35)16(33)10-31)26-23(24)27-18(34)9-30-8-15(28-29-30)12-3-5-13(38-2)6-4-12/h3-8,14,16,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206321
PNG
(CHEMBL3926666)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H28N8O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-4-2-3-5-12(11)23/h2-7,13,15,18-20,31,33,35H,8-9,23H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206359
PNG
(CHEMBL3945341)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(c2)C(=O)OCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C25H31N7O10/c1-3-41-24(40)14-6-4-5-13(7-14)16-9-32(31-30-16)10-19(36)29-25(26)28-15-8-18(23(38)39)42-22(20(15)27-12(2)34)21(37)17(35)11-33/h4-9,15,17,20-22,33,35,37H,3,10-11H2,1-2H3,(H,27,34)(H,38,39)(H3,26,28,29,36)/t15-,17+,20+,21+,22+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206356
PNG
(CHEMBL3955100)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C23H29N7O8/c1-11-3-5-13(6-4-11)15-8-30(29-28-15)9-18(34)27-23(24)26-14-7-17(22(36)37)38-21(19(14)25-12(2)32)20(35)16(33)10-31/h3-8,14,16,19-21,31,33,35H,9-10H2,1-2H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206324
PNG
(CHEMBL3954074)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(F)c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26FN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-3-2-4-12(23)5-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206331
PNG
(CHEMBL3927490)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(Cl)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26ClN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-2-4-12(23)5-3-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206327
PNG
(CHEMBL3951461)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)C2=CCCCC2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3,t:19|
Show InChI InChI=1S/C22H31N7O8/c1-11(31)24-18-13(7-16(21(35)36)37-20(18)19(34)15(32)10-30)25-22(23)26-17(33)9-29-8-14(27-28-29)12-5-3-2-4-6-12/h5,7-8,13,15,18-20,30,32,34H,2-4,6,9-10H2,1H3,(H,24,31)(H,35,36)(H3,23,25,26,33)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206333
PNG
(CHEMBL3951068)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C24H28N4O8S/c1-12(30)26-20-16(9-18(23(34)35)36-22(20)21(33)17(31)10-29)27-24(25)28-19(32)11-37-15-7-6-13-4-2-3-5-14(13)8-15/h2-9,16-17,20-22,29,31,33H,10-11H2,1H3,(H,26,30)(H,34,35)(H3,25,27,28,32)/t16-,17+,20+,21+,22+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206332
PNG
(CHEMBL3946415)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(F)cc2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C22H26FN7O8/c1-10(32)25-18-13(6-16(21(36)37)38-20(18)19(35)15(33)9-31)26-22(24)27-17(34)8-30-7-14(28-29-30)11-2-4-12(23)5-3-11/h2-7,13,15,18-20,31,33,35H,8-9H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t13-,15+,18+,19+,20+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206335
PNG
(CHEMBL3918540)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C27H31N7O9/c1-13(36)29-23-18(9-21(26(40)41)43-25(23)24(39)20(37)12-35)30-27(28)31-22(38)11-34-10-19(32-33-34)16-4-3-15-8-17(42-2)6-5-14(15)7-16/h3-10,18,20,23-25,35,37,39H,11-12H2,1-2H3,(H,29,36)(H,40,41)(H3,28,30,31,38)/t18-,20+,23+,24+,25+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed by substrate ...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50486068
PNG
(CHEMBL2205843)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C25H34N6O11/c1-12(33)30-20-14(31-24(26)27)10-18(23(38)39)41-22(20)21(17(36)11-32)42-25(40)29-8-2-7-28-19(37)6-4-13-3-5-15(34)16(35)9-13/h3-6,9-10,14,17,20-22,32,34-36H,2,7-8,11H2,1H3,(H,28,37)(H,29,40)(H,30,33)(H,38,39)(H4,26,27,31)/b6-4+/t14-,17+,20+,21+,22+/m0/s1
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n/an/a 41n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50413054
PNG
(CHEMBL4160792)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N\C(N)=N\C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C29H38N4O6/c1-6-22(7-2)39-25-15-21(28(36)37)14-24(26(25)31-17(4)34)32-29(30)33-27(35)16(3)18-8-9-20-13-23(38-5)11-10-19(20)12-18/h8-13,15-16,22,24-26H,6-7,14H2,1-5H3,(H,31,34)(H,36,37)(H3,30,32,33,35)/t16-,24-,25+,26+/m0/s1
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n/an/a 53n/an/an/an/an/an/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 (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206325
PNG
(CHEMBL3905738)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:27|
Show InChI InChI=1S/C23H29N7O8/c1-12(32)25-19-14(9-17(22(36)37)38-21(19)20(35)16(33)11-31)26-23(24)27-18(34)7-8-30-10-15(28-29-30)13-5-3-2-4-6-13/h2-6,9-10,14,16,19-21,31,33,35H,7-8,11H2,1H3,(H,25,32)(H,36,37)(H3,24,26,27,34)/t14-,16+,19+,20+,21?/m0/s1
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n/an/a 146n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50206358
PNG
(CHEMBL3914725)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |r,c:29|
Show InChI InChI=1S/C25H33N7O8/c1-14(34)27-21-16(11-19(24(38)39)40-23(21)22(37)18(35)13-33)28-25(26)29-20(36)9-5-6-10-32-12-17(30-31-32)15-7-3-2-4-8-15/h2-4,7-8,11-12,16,18,21-23,33,35,37H,5-6,9-10,13H2,1H3,(H,27,34)(H,38,39)(H3,26,28,29,36)/t16-,18+,21+,22+,23?/m0/s1
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n/an/a 169n/an/an/an/an/an/a



National Tsing Hua University

Curated by ChEMBL


Assay Description
Competitive inhibition of MDCK infected Influenza A virus A/WSN/33(H1N1) neuraminidase using MU-NANA as substrate preincubated for 30 mins followed b...

Eur J Med Chem 123: 397-406 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.064
BindingDB Entry DOI: 10.7270/Q2KH0QB7
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)		BDBM50413051
PNG
(CHEMBL4161862)
Show SMILES [H][C@]1(OC(=C[C@H](N\C(N)=N\C(=O)CCCCCCC)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3|
Show InChI InChI=1S/C20H34N4O8/c1-3-4-5-6-7-8-15(28)24-20(21)23-12-9-14(19(30)31)32-18(16(12)22-11(2)26)17(29)13(27)10-25/h9,12-13,16-18,25,27,29H,3-8,10H2,1-2H3,(H,22,26)(H,30,31)(H3,21,23,24,28)/t12-,13+,16+,17+,18+/m0/s1
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UniChem

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n/an/a 180n/an/an/an/an/an/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
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