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Compile Data Set for Download or QSAR

Found 152 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' AND taxid = 381516   
Target
(Institution)
LigandTarget
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


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Freie Universitaet Berlin

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/Perth/16/2009(H3N2)) neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate addition by f...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 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 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 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
Show InChI InChI=1/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+/s2
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n/an/a 2.30n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 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
Show InChI InChI=1/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+/s2
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n/an/a 2.60n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Freie Universitaet Berlin

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/California/07/2009(H1N1)) pdm09 neuraminidase using MUNANA substrate pre-incubated for 30 mins before substrate ad...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a>3.10n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028516
PNG
(CHEMBL3342478)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/s2
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n/an/a 3.80n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028523
PNG
(CHEMBL3342485)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/s2
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n/an/a 4.30n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037601
PNG
(CHEMBL3357203)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCCCc1cc2ccccc2[nH]1
Show InChI InChI=1/C25H36N4O4/c1-4-20(5-2)33-23-15-18(14-21(26)24(23)27-16(3)30)25(31)29-32-12-8-10-19-13-17-9-6-7-11-22(17)28-19/h6-7,9,11,13,15,20-21,23-24,28H,4-5,8,10,12,14,26H2,1-3H3,(H,27,30)(H,29,31)/t21-,23+,24+/s2
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n/an/a 6.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028516
PNG
(CHEMBL3342478)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C27H34N2O4/c1-4-23(5-2)33-25-16-22(27(31)32)15-24(26(25)29-18(3)30)28-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26,28H,4-5,15,17H2,1-3H3,(H,29,30)(H,31,32)/t24-,25+,26+/s2
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n/an/a 6.70n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037545
PNG
(CHEMBL3357204)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOC
Show InChI InChI=1/C16H29N5O4/c1-5-11(6-2)25-13-8-10(15(23)21-24-4)7-12(20-16(17)18)14(13)19-9(3)22/h8,11-14H,5-7H2,1-4H3,(H,19,22)(H,21,23)(H4,17,18,20)/t12-,13+,14+/s2
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n/an/a 6.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037546
PNG
(CHEMBL3357205)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1
Show InChI InChI=1/C22H33N5O4/c1-4-17(5-2)31-19-12-16(11-18(26-22(23)24)20(19)25-14(3)28)21(29)27-30-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H,25,28)(H,27,29)(H4,23,24,26)/t18-,19+,20+/s2
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 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
Show InChI InChI=1/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+/s2
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n/an/a 11n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028511
PNG
(CHEMBL3342474)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29ClN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 14n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028523
PNG
(CHEMBL3342485)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/s2
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n/an/a 14n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028508
PNG
(CHEMBL3342471)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/s2
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n/an/a 19n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037552
PNG
(CHEMBL3357211)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O
Show InChI InChI=1/C16H29N5O5S/c1-5-11(6-2)26-13-8-10(15(23)21-27(4,24)25)7-12(20-16(17)18)14(13)19-9(3)22/h8,11-14H,5-7H2,1-4H3,(H,19,22)(H,21,23)(H4,17,18,20)/t12-,13+,14+/s2
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028521
PNG
(CHEMBL3342483)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C27H33ClN2O4/c1-4-22(5-2)34-25-15-21(27(32)33)14-24(26(25)30-17(3)31)29-16-20-12-11-19(13-23(20)28)18-9-7-6-8-10-18/h6-13,15,22,24-26,29H,4-5,14,16H2,1-3H3,(H,30,31)(H,32,33)/t24-,25+,26+/s2
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n/an/a 27n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028511
PNG
(CHEMBL3342474)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Cl)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29ClN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 29n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037587
PNG
(CHEMBL3357202)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOCc1ccccc1
Show InChI InChI=1/C21H31N3O4/c1-4-17(5-2)28-19-12-16(11-18(22)20(19)23-14(3)25)21(26)24-27-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13,22H2,1-3H3,(H,23,25)(H,24,26)/t18-,19+,20+/s2
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n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037555
PNG
(CHEMBL3357214)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1/C21H31N5O5S/c1-4-15(5-2)31-18-12-14(11-17(25-21(22)23)19(18)24-13(3)27)20(28)26-32(29,30)16-9-7-6-8-10-16/h6-10,12,15,17-19H,4-5,11H2,1-3H3,(H,24,27)(H,26,28)(H4,22,23,25)/t17-,18+,19+/s2
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028522
PNG
(CHEMBL3342484)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/s2
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n/an/a 38n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028512
PNG
(CHEMBL3342475)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29BrN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 38n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028522
PNG
(CHEMBL3342484)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/s2
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n/an/a 39n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028512
PNG
(CHEMBL3342475)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29BrN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 42n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037554
PNG
(CHEMBL3357213)
Show SMILES CCCCS(=O)(=O)NC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N
Show InChI InChI=1/C19H35N5O5S/c1-5-8-9-30(27,28)24-18(26)13-10-15(23-19(20)21)17(22-12(4)25)16(11-13)29-14(6-2)7-3/h11,14-17H,5-10H2,1-4H3,(H,22,25)(H,24,26)(H4,20,21,23)/t15-,16+,17+/s2
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n/an/a 42n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028504
PNG
(CHEMBL3342467)
Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/s2
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n/an/a 43n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028521
PNG
(CHEMBL3342483)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2Cl)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C27H33ClN2O4/c1-4-22(5-2)34-25-15-21(27(32)33)14-24(26(25)30-17(3)31)29-16-20-12-11-19(13-23(20)28)18-9-7-6-8-10-18/h6-13,15,22,24-26,29H,4-5,14,16H2,1-3H3,(H,30,31)(H,32,33)/t24-,25+,26+/s2
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n/an/a 44n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037556
PNG
(CHEMBL3357201)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NOC
Show InChI InChI=1/C15H27N3O4/c1-5-11(6-2)22-13-8-10(15(20)18-21-4)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)/t12-,13+,14+/s2
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n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028514
PNG
(CHEMBL3342477)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/s2
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n/an/a 48n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028507
PNG
(CHEMBL3342470)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccs2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C19H28N2O4S/c1-4-14(5-2)25-17-10-13(19(23)24)9-16(18(17)21-12(3)22)20-11-15-7-6-8-26-15/h6-8,10,14,16-18,20H,4-5,9,11H2,1-3H3,(H,21,22)(H,23,24)/t16-,17+,18+/s2
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n/an/a 53n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028507
PNG
(CHEMBL3342470)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccs2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C19H28N2O4S/c1-4-14(5-2)25-17-10-13(19(23)24)9-16(18(17)21-12(3)22)20-11-15-7-6-8-26-15/h6-8,10,14,16-18,20H,4-5,9,11H2,1-3H3,(H,21,22)(H,23,24)/t16-,17+,18+/s2
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n/an/a 54n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028512
PNG
(CHEMBL3342475)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2Br)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29BrN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 56n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028505
PNG
(CHEMBL3342468)
Show SMILES CCCCN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C18H32N2O4/c1-5-8-9-19-15-10-13(18(22)23)11-16(17(15)20-12(4)21)24-14(6-2)7-3/h11,14-17,19H,5-10H2,1-4H3,(H,20,21)(H,22,23)/t15-,16+,17+/s2
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n/an/a 56n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028522
PNG
(CHEMBL3342484)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2-c2ccccc2)-c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C33H38N2O4/c1-4-28(5-2)39-31-20-27(33(37)38)19-30(32(31)35-22(3)36)34-21-26-17-16-25(23-12-8-6-9-13-23)18-29(26)24-14-10-7-11-15-24/h6-18,20,28,30-32,34H,4-5,19,21H2,1-3H3,(H,35,36)(H,37,38)/t30-,31+,32+/s2
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n/an/a 58n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028510
PNG
(CHEMBL3342473)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2O)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H30N2O5/c1-4-16(5-2)28-19-11-15(21(26)27)10-17(20(19)23-13(3)24)22-12-14-8-6-7-9-18(14)25/h6-9,11,16-17,19-20,22,25H,4-5,10,12H2,1-3H3,(H,23,24)(H,26,27)/t17-,19+,20+/s2
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n/an/a 63n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037548
PNG
(CHEMBL3357207)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(C)(=O)=O
Show InChI InChI=1/C15H27N3O5S/c1-5-11(6-2)23-13-8-10(15(20)18-24(4,21)22)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,18,20)/t12-,13+,14+/s2
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n/an/a 68n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028504
PNG
(CHEMBL3342467)
Show SMILES CCC(CC)CN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C20H36N2O4/c1-6-14(7-2)12-21-17-10-15(20(24)25)11-18(19(17)22-13(5)23)26-16(8-3)9-4/h11,14,16-19,21H,6-10,12H2,1-5H3,(H,22,23)(H,24,25)/t17-,18+,19+/s2
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n/an/a 70n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028505
PNG
(CHEMBL3342468)
Show SMILES CCCCN[C@H]1CC(=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C18H32N2O4/c1-5-8-9-19-15-10-13(18(22)23)11-16(17(15)20-12(4)21)24-14(6-2)7-3/h11,14-17,19H,5-10H2,1-4H3,(H,20,21)(H,22,23)/t15-,16+,17+/s2
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n/an/a 76n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028508
PNG
(CHEMBL3342471)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H30N2O4/c1-4-17(5-2)27-19-12-16(21(25)26)11-18(20(19)23-14(3)24)22-13-15-9-7-6-8-10-15/h6-10,12,17-20,22H,4-5,11,13H2,1-3H3,(H,23,24)(H,25,26)/t18-,19+,20+/s2
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n/an/a 80n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028517
PNG
(CHEMBL3342479)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCCCc2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C23H34N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,19-22,24H,4-5,9,12-14H2,1-3H3,(H,25,26)(H,27,28)/t20-,21+,22+/s2
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n/an/a 81n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/s2
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n/an/a 83n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028484
PNG
(CHEMBL3342456)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1cccs1)C(N)=N)C(O)=O
Show InChI InChI=1/C20H30N4O4S/c1-4-14(5-2)28-17-10-13(19(26)27)9-16(18(17)23-12(3)25)24(20(21)22)11-15-7-6-8-29-15/h6-8,10,14,16-18H,4-5,9,11H2,1-3H3,(H3,21,22)(H,23,25)(H,26,27)/t16-,17+,18+/s2
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n/an/a 88n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028513
PNG
(CHEMBL3342476)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccccc2F)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C21H29FN2O4/c1-4-16(5-2)28-19-11-15(21(26)27)10-18(20(19)24-13(3)25)23-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20,23H,4-5,10,12H2,1-3H3,(H,24,25)(H,26,27)/t18-,19+,20+/s2
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n/an/a 90n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/1206/2012(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50037553
PNG
(CHEMBL3357212)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1/C16H26F3N5O5S/c1-4-10(5-2)29-12-7-9(14(26)24-30(27,28)16(17,18)19)6-11(23-15(20)21)13(12)22-8(3)25/h7,10-13H,4-6H2,1-3H3,(H,22,25)(H,24,26)(H4,20,21,23)/t11-,12+,13+/s2
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n/an/a 94n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028506
PNG
(CHEMBL3342469)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCC(C)C)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C18H32N2O4/c1-6-14(7-2)24-16-9-13(18(22)23)8-15(19-10-11(3)4)17(16)20-12(5)21/h9,11,14-17,19H,6-8,10H2,1-5H3,(H,20,21)(H,22,23)/t15-,16+,17+/s2
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n/an/a 99n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028507
PNG
(CHEMBL3342470)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2cccs2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C19H28N2O4S/c1-4-14(5-2)25-17-10-13(19(23)24)9-16(18(17)21-12(3)22)20-11-15-7-6-8-26-15/h6-8,10,14,16-18,20H,4-5,9,11H2,1-3H3,(H,21,22)(H,23,24)/t16-,17+,18+/s2
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n/an/a 99n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/chicken/shandong/S2/02(H9N2) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/USSR/90/1977 H1N1))
BDBM50028514
PNG
(CHEMBL3342477)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC\C=C\c2ccccc2)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1/C23H32N2O4/c1-4-19(5-2)29-21-15-18(23(27)28)14-20(22(21)25-16(3)26)24-13-9-12-17-10-7-6-8-11-17/h6-12,15,19-22,24H,4-5,13-14H2,1-3H3,(H,25,26)(H,27,28)/b12-9+/t20-,21+,22+/s2
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n/an/a 106n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/duck/china/QJ/01(H5N1) Neuraminidase


Citation and Details
More data for this
Ligand-Target Pair
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