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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50001681   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
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 15n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
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 23n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50294837
PNG
(CHEMBL4161045)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16+,17+/m0/s1
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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 chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294837
PNG
(CHEMBL4161045)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16+,17+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294732
PNG
(CHEMBL4171650)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16?,17+/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294732
PNG
(CHEMBL4171650)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16?,17+/m0/s1
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n/an/a 248n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294857
PNG
(CHEMBL4175097)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16-,17+/m0/s1
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n/an/a 304n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294857
PNG
(CHEMBL4175097)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C19H33N3O5/c1-6-13(7-2)27-15-9-12(8-14(20)17(15)21-11(5)23)18(24)22-16(10(3)4)19(25)26/h9-10,13-17H,6-8,20H2,1-5H3,(H,21,23)(H,22,24)(H,25,26)/t14-,15+,16-,17+/m0/s1
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n/an/a 342n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294541
PNG
(CHEMBL4176157)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC=C
Show InChI InChI=1S/C17H29N3O3/c1-5-8-19-17(22)12-9-14(18)16(20-11(4)21)15(10-12)23-13(6-2)7-3/h5,10,13-16H,1,6-9,18H2,2-4H3,(H,19,22)(H,20,21)/t14-,15+,16+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294412
PNG
(CHEMBL4164663)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294194
PNG
(CHEMBL4169387)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H35N3O3/c1-4-23(5-2)33-25-16-22(15-24(28)26(25)30-18(3)31)27(32)29-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26H,4-5,15,17,28H2,1-3H3,(H,29,32)(H,30,31)/t24-,25+,26+/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition HIV integrase 3'-processing activity


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294194
PNG
(CHEMBL4169387)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H35N3O3/c1-4-23(5-2)33-25-16-22(15-24(28)26(25)30-18(3)31)27(32)29-17-19-11-13-21(14-12-19)20-9-7-6-8-10-20/h6-14,16,23-26H,4-5,15,17,28H2,1-3H3,(H,29,32)(H,30,31)/t24-,25+,26+/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295068
PNG
(CHEMBL4164459)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C17H29N3O5/c1-5-12(6-2)25-14-8-11(16(22)19-9(3)17(23)24)7-13(18)15(14)20-10(4)21/h8-9,12-15H,5-7,18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t9-,13+,14-,15-/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295160
PNG
(CHEMBL4163284)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H29N3O5/c1-5-12(6-2)25-14-8-11(16(22)19-9(3)17(23)24)7-13(18)15(14)20-10(4)21/h8-9,12-15H,5-7,18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t9-,13-,14+,15+/m0/s1
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n/an/a 1.28E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295068
PNG
(CHEMBL4164459)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@H](C)C(O)=O
Show InChI InChI=1S/C17H29N3O5/c1-5-12(6-2)25-14-8-11(16(22)19-9(3)17(23)24)7-13(18)15(14)20-10(4)21/h8-9,12-15H,5-7,18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t9-,13+,14-,15-/m1/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294193
PNG
(CHEMBL4161462)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C24H34N4O5/c1-4-19(5-2)33-21-13-16(12-20(25)23(21)26-15(3)29)24(31)27-17-6-8-18(9-7-17)28-10-11-32-14-22(28)30/h6-9,13,19-21,23H,4-5,10-12,14,25H2,1-3H3,(H,26,29)(H,27,31)/t20-,21+,23+/m0/s1
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n/an/a 1.46E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294423
PNG
(CHEMBL4171676)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C21H30BrN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295168
PNG
(CHEMBL4173998)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C16H27N3O5/c1-4-11(5-2)24-13-7-10(16(23)18-8-14(21)22)6-12(17)15(13)19-9(3)20/h7,11-13,15H,4-6,8,17H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)/t12-,13+,15+/m0/s1
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n/an/a 2.16E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295160
PNG
(CHEMBL4163284)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H29N3O5/c1-5-12(6-2)25-14-8-11(16(22)19-9(3)17(23)24)7-13(18)15(14)20-10(4)21/h8-9,12-15H,5-7,18H2,1-4H3,(H,19,22)(H,20,21)(H,23,24)/t9-,13-,14+,15+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294187
PNG
(CHEMBL4175520)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C21H29F2N3O3/c1-4-17(5-2)29-19-9-14(8-18(24)20(19)26-12(3)27)21(28)25-11-13-6-15(22)10-16(23)7-13/h6-7,9-10,17-20H,4-5,8,11,24H2,1-3H3,(H,25,28)(H,26,27)/t18-,19+,20+/m0/s1
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n/an/a 2.22E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294193
PNG
(CHEMBL4161462)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C24H34N4O5/c1-4-19(5-2)33-21-13-16(12-20(25)23(21)26-15(3)29)24(31)27-17-6-8-18(9-7-17)28-10-11-32-14-22(28)30/h6-9,13,19-21,23H,4-5,10-12,14,25H2,1-3H3,(H,26,29)(H,27,31)/t20-,21+,23+/m0/s1
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n/an/a 2.27E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294191
PNG
(CHEMBL4176592)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N(C)CCc1cccc(F)c1
Show InChI InChI=1S/C23H34FN3O3/c1-5-19(6-2)30-21-14-17(13-20(25)22(21)26-15(3)28)23(29)27(4)11-10-16-8-7-9-18(24)12-16/h7-9,12,14,19-22H,5-6,10-11,13,25H2,1-4H3,(H,26,28)/t20-,21+,22+/m0/s1
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n/an/a 2.51E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50295168
PNG
(CHEMBL4173998)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C16H27N3O5/c1-4-11(5-2)24-13-7-10(16(23)18-8-14(21)22)6-12(17)15(13)19-9(3)20/h7,11-13,15H,4-6,8,17H2,1-3H3,(H,18,23)(H,19,20)(H,21,22)/t12-,13+,15+/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294191
PNG
(CHEMBL4176592)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)N(C)CCc1cccc(F)c1
Show InChI InChI=1S/C23H34FN3O3/c1-5-19(6-2)30-21-14-17(13-20(25)22(21)26-15(3)28)23(29)27(4)11-10-16-8-7-9-18(24)12-16/h7-9,12,14,19-22H,5-6,10-11,13,25H2,1-4H3,(H,26,28)/t20-,21+,22+/m0/s1
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n/an/a 2.65E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294412
PNG
(CHEMBL4164663)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294414
PNG
(CHEMBL4172499)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C22H33N3O3/c1-5-18(6-2)28-20-12-17(11-19(23)21(20)25-15(4)26)22(27)24-13-16-9-7-14(3)8-10-16/h7-10,12,18-21H,5-6,11,13,23H2,1-4H3,(H,24,27)(H,25,26)/t19-,20+,21+/m0/s1
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n/an/a 2.91E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294413
PNG
(CHEMBL4169163)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H30ClN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-7-6-8-16(22)9-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 3.02E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294189
PNG
(CHEMBL4161485)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1ccccc1F
Show InChI InChI=1S/C22H32FN3O3/c1-4-17(5-2)29-20-13-16(12-19(24)21(20)26-14(3)27)22(28)25-11-10-15-8-6-7-9-18(15)23/h6-9,13,17,19-21H,4-5,10-12,24H2,1-3H3,(H,25,28)(H,26,27)/t19-,20+,21+/m0/s1
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n/an/a 3.17E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294186
PNG
(CHEMBL4164904)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(F)cc1Cl
Show InChI InChI=1S/C21H29ClFN3O3/c1-4-16(5-2)29-19-9-14(8-18(24)20(19)26-12(3)27)21(28)25-11-13-6-7-15(23)10-17(13)22/h6-7,9-10,16,18-20H,4-5,8,11,24H2,1-3H3,(H,25,28)(H,26,27)/t18-,19+,20+/m0/s1
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n/an/a 3.91E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294410
PNG
(CHEMBL4168313)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H36N4O4/c1-4-16(5-2)28-18-13-15(12-17(21)19(18)23-14(3)25)20(26)22-6-7-24-8-10-27-11-9-24/h13,16-19H,4-12,21H2,1-3H3,(H,22,26)(H,23,25)/t17-,18+,19+/m0/s1
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n/an/a 4.24E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294541
PNG
(CHEMBL4176157)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCC=C
Show InChI InChI=1S/C17H29N3O3/c1-5-8-19-17(22)12-9-14(18)16(20-11(4)21)15(10-12)23-13(6-2)7-3/h5,10,13-16H,1,6-9,18H2,2-4H3,(H,19,22)(H,20,21)/t14-,15+,16+/m0/s1
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n/an/a 5.03E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
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 5.05E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase H274Y mutant using 4-MU-NANA as substrate pre-incubated for 10 mins follo...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50294411
PNG
(CHEMBL4172548)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-7-6-8-16(22)9-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 5.09E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294189
PNG
(CHEMBL4161485)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1ccccc1F
Show InChI InChI=1S/C22H32FN3O3/c1-4-17(5-2)29-20-13-16(12-19(24)21(20)26-14(3)27)22(28)25-11-10-15-8-6-7-9-18(15)23/h6-9,13,17,19-21H,4-5,10-12,24H2,1-3H3,(H,25,28)(H,26,27)/t19-,20+,21+/m0/s1
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n/an/a 5.12E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294423
PNG
(CHEMBL4171676)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C21H30BrN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-6-8-16(22)9-7-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 6.01E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294188
PNG
(CHEMBL4168099)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C21H30FN3O3/c1-4-16(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 6.26E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294228
PNG
(CHEMBL4172779)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C25H33N3O3S/c1-4-20(5-2)31-22-14-19(13-21(26)24(22)28-16(3)29)25(30)27-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24H,4-5,13,15,26H2,1-3H3,(H,27,30)(H,28,29)/t21-,22+,24+/m0/s1
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n/an/a 7.75E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294413
PNG
(CHEMBL4169163)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H30ClN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-7-6-8-16(22)9-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 7.86E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294424
PNG
(CHEMBL4163800)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3/c1-4-17(5-2)31-19-11-15(10-18(26)20(19)28-13(3)29)21(30)27-12-14-6-8-16(9-7-14)22(23,24)25/h6-9,11,17-20H,4-5,10,12,26H2,1-3H3,(H,27,30)(H,28,29)/t18-,19+,20+/m0/s1
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n/an/a 8.78E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294532
PNG
(CHEMBL4160423)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H31N3O3/c1-4-17(5-2)27-19-12-16(11-18(22)20(19)24-14(3)25)21(26)23-13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13,22H2,1-3H3,(H,23,26)(H,24,25)/t18-,19+,20+/m0/s1
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n/an/a 9.87E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294187
PNG
(CHEMBL4175520)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cc(F)cc(F)c1
Show InChI InChI=1S/C21H29F2N3O3/c1-4-17(5-2)29-19-9-14(8-18(24)20(19)26-12(3)27)21(28)25-11-13-6-15(22)10-16(23)7-13/h6-7,9-10,17-20H,4-5,8,11,24H2,1-3H3,(H,25,28)(H,26,27)/t18-,19+,20+/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294228
PNG
(CHEMBL4172779)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C25H33N3O3S/c1-4-20(5-2)31-22-14-19(13-21(26)24(22)28-16(3)29)25(30)27-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24H,4-5,13,15,26H2,1-3H3,(H,27,30)(H,28,29)/t21-,22+,24+/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294424
PNG
(CHEMBL4163800)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H30F3N3O3/c1-4-17(5-2)31-19-11-15(10-18(26)20(19)28-13(3)29)21(30)27-12-14-6-8-16(9-7-14)22(23,24)25/h6-9,11,17-20H,4-5,10,12,26H2,1-3H3,(H,27,30)(H,28,29)/t18-,19+,20+/m0/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294414
PNG
(CHEMBL4172499)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1
Show InChI InChI=1S/C22H33N3O3/c1-5-18(6-2)28-20-12-17(11-19(23)21(20)25-15(4)26)22(27)24-13-16-9-7-14(3)8-10-16/h7-10,12,18-21H,5-6,11,13,23H2,1-4H3,(H,24,27)(H,25,26)/t19-,20+,21+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294411
PNG
(CHEMBL4172548)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C21H30FN3O3/c1-4-17(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-7-6-8-16(22)9-14/h6-9,11,17-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294192
PNG
(CHEMBL4168725)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H28FN3O3/c1-4-16(5-2)27-18-11-13(10-17(22)19(18)23-12(3)25)20(26)24-15-8-6-14(21)7-9-15/h6-9,11,16-19H,4-5,10,22H2,1-3H3,(H,23,25)(H,24,26)/t17-,18+,19+/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294410
PNG
(CHEMBL4168313)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C20H36N4O4/c1-4-16(5-2)28-18-13-15(12-17(21)19(18)23-14(3)25)20(26)22-6-7-24-8-10-27-11-9-24/h13,16-19H,4-12,21H2,1-3H3,(H,22,26)(H,23,25)/t17-,18+,19+/m0/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294188
PNG
(CHEMBL4168099)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C21H30FN3O3/c1-4-16(5-2)28-19-11-15(10-18(23)20(19)25-13(3)26)21(27)24-12-14-8-6-7-9-17(14)22/h6-9,11,16,18-20H,4-5,10,12,23H2,1-3H3,(H,24,27)(H,25,26)/t18-,19+,20+/m0/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294190
PNG
(CHEMBL4172077)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cccc(F)c1
Show InChI InChI=1S/C22H32FN3O3/c1-4-18(5-2)29-20-13-16(12-19(24)21(20)26-14(3)27)22(28)25-10-9-15-7-6-8-17(23)11-15/h6-8,11,13,18-21H,4-5,9-10,12,24H2,1-3H3,(H,25,28)(H,26,27)/t19-,20+,21+/m0/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus chicken/china/1220/2012(H5N1) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50294192
PNG
(CHEMBL4168725)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H28FN3O3/c1-4-16(5-2)27-18-11-13(10-17(22)19(18)23-12(3)25)20(26)24-15-8-6-14(21)7-9-15/h6-9,11,16-19H,4-5,10,22H2,1-3H3,(H,23,25)(H,24,26)/t17-,18+,19+/m0/s1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus duck/Guangdong/674/2014(H5N6) neuraminidase using 4-MU-NANA as substrate pre-incubated for 10 mins followed by substr...


Eur J Med Chem 146: 220-231 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.050
BindingDB Entry DOI: 10.7270/Q2VQ356H
More data for this
Ligand-Target Pair
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