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Compile Data Set for Download or QSAR

Found 27 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 CCC(CC)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)P(O)(O)=O
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...)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
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...)
BDBM50401400
PNG
(CHEMBL2206932)
Show SMILES CCOP(O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)N=C(N)N
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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n/an/a 1.10n/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...)
BDBM50206326
PNG
(CHEMBL3973923)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)C2CCCCC2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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
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...)
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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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...)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
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
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...)
BDBM50206328
PNG
(CHEMBL3932696)
Show SMILES COc1ccccc1-c1cn(CC(=O)NC(=N)N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)nn1
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...)
BDBM50206329
PNG
(CHEMBL3982739)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(Cl)c2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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
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 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(N)c2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206330
PNG
(CHEMBL3966255)
Show SMILES COc1ccc(cc1)-c1cn(CC(=O)NC(=N)N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)nn1
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...)
BDBM50206355
PNG
(CHEMBL3936449)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(N)cc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206321
PNG
(CHEMBL3926666)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccccc2N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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 CCOC(=O)c1cccc(c1)-c1cn(CC(=O)NC(=N)N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)nn1
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...)
BDBM50206324
PNG
(CHEMBL3954074)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2cccc(F)c2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206356
PNG
(CHEMBL3955100)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(C)cc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206327
PNG
(CHEMBL3951461)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)C2=CCCCC2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206331
PNG
(CHEMBL3927490)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(Cl)cc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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...)
BDBM50206333
PNG
(CHEMBL3951068)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CSc2ccc3ccccc3c2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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 CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)Cn2cc(nn2)-c2ccc(F)cc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
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 COc1ccc2cc(ccc2c1)-c1cn(CC(=O)NC(=N)N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)nn1
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...)
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
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
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...)
BDBM50206357
PNG
(CHEMBL3933755)
Show SMILES CC(=O)N[C@@H]1[C@@H](NC(=N)NC(=O)CCCn2cc(nn2)-c2ccccc2)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C24H31N7O8/c1-13(33)26-20-15(10-18(23(37)38)39-22(20)21(36)17(34)12-32)27-24(25)28-19(35)8-5-9-31-11-16(29-30-31)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,17,20-22,32,34,36H,5,8-9,12H2,1H3,(H,26,33)(H,37,38)(H3,25,27,28,35)/t15-,17+,20+,21+,22?/m0/s1
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n/an/a 238n/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...)
BDBM50401402
PNG
(CHEMBL2206457)
Show SMILES CCOP(=O)(OCC)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C17H33N2O5P/c1-6-13(7-2)24-16-11-14(25(21,22-8-3)23-9-4)10-15(18)17(16)19-12(5)20/h11,13,15-17H,6-10,18H2,1-5H3,(H,19,20)/t15-,16+,17+/m0/s1
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n/an/a>3.00E+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