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Compile Data Set for Download or QSAR

Found 85 hits of ic50 for UniProtKB: P03471   
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/Memphis/1/1971 H3N2))
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by sub...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111635
BindingDB Entry DOI: 10.7270/Q279482M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50515880
PNG
(CHEMBL4545891)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(o2)-c2c(C)noc2C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C24H33N3O6/c1-6-17(7-2)31-21-11-16(24(29)30)10-19(23(21)26-15(5)28)25-12-18-8-9-20(32-18)22-13(3)27-33-14(22)4/h8-9,11,17,19,21,23,25H,6-7,10,12H2,1-5H3,(H,26,28)(H,29,30)/t19-,21+,23+/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by sub...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111635
BindingDB Entry DOI: 10.7270/Q279482M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 1.73n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/Memphis/1/71(H3N2) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by...


Bioorg Med Chem 26: 17-24 (2018)


Article DOI: 10.1016/j.bmc.2017.09.038
BindingDB Entry DOI: 10.7270/Q2S75JXS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50515881
PNG
(CHEMBL4472001)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2noc(n2)-c2ccco2)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C21H28N4O6/c1-4-14(5-2)30-17-10-13(21(27)28)9-15(19(17)23-12(3)26)22-11-18-24-20(31-25-18)16-7-6-8-29-16/h6-8,10,14-15,17,19,22H,4-5,9,11H2,1-3H3,(H,23,26)(H,27,28)/t15-,17+,19+/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by sub...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111635
BindingDB Entry DOI: 10.7270/Q279482M
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50181441
PNG
(BCX-1812 | CHEBI:85202 | Peramivir)
Show SMILES [H][C@@]1([C@@H](NC(C)=O)C(CC)CC)[C@H](O)[C@H](C[C@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUN...


Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substra...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 in using 4-MUNANA as substrate preincubated for 10 mins followed by...


Eur J Med Chem 178: 64-80 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.076
BindingDB Entry DOI: 10.7270/Q2S46WBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50464877
PNG
(CHEMBL4288789)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCNC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H42N6O8/c1-4-17(5-2)24(33-15(3)35)23-19(34-27(29)30)14-18(26(39)40)25(23)42-28(41)32-12-6-11-31-22(38)10-8-16-7-9-20(36)21(37)13-16/h7-10,13,17-19,23-25,36-37H,4-6,11-12,14H2,1-3H3,(H,31,38)(H,32,41)(H,33,35)(H,39,40)(H4,29,30,34)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUN...


Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50365367
PNG
(CHEMBL4172298)
Show SMILES [H][C@]1(OC(=C[C@H](NC(=N)NC(=O)CSc2cccc3ccccc23)[C@H]1NC(C)=O)C(O)=O)[C@@H](O)[C@@H](O)CO |r,c:3|
Show InChI InChI=1S/C24H28N4O8S/c1-12(30)26-20-15(9-17(23(34)35)36-22(20)21(33)16(31)10-29)27-24(25)28-19(32)11-37-18-8-4-6-13-5-2-3-7-14(13)18/h2-9,15-16,20-22,29,31,33H,10-11H2,1H3,(H,26,30)(H,34,35)(H3,25,27,28,32)/t15-,16-,20+,21-,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus Taiwan/3446/2002 (H3N2) neuraminidase activity using fluorogenic substrate MU-NANA pre-incubated for 30 mins before f...


J Med Chem 61: 6379-6397 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00929
BindingDB Entry DOI: 10.7270/Q2H41V0C
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50464876
PNG
(CHEMBL4288995)
Show SMILES [H][C@]1([C@@H](NC(C)=O)C(CC)CC)[C@@H](C[C@@H]([C@H]1OC(=O)NCCCOC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)NC(N)=N |r|
Show InChI InChI=1S/C28H41N5O9/c1-4-17(5-2)24(32-15(3)34)23-19(33-27(29)30)14-18(26(38)39)25(23)42-28(40)31-11-6-12-41-22(37)10-8-16-7-9-20(35)21(36)13-16/h7-10,13,17-19,23-25,35-36H,4-6,11-12,14H2,1-3H3,(H,31,40)(H,32,34)(H,38,39)(H4,29,30,33)/b10-8+/t18-,19+,23+,24-,25+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUN...


Eur J Med Chem 145: 224-234 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.072
BindingDB Entry DOI: 10.7270/Q22R3VBS
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50365365
PNG
(CHEMBL4175711)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCCCNc2cccc(Cl)c2C)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C24H36ClN3O4/c1-5-18(6-2)32-22-14-17(24(30)31)13-21(23(22)28-16(4)29)27-12-8-11-26-20-10-7-9-19(25)15(20)3/h7,9-10,14,18,21-23,26-27H,5-6,8,11-13H2,1-4H3,(H,28,29)(H,30,31)/t21-,22+,23+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (H3N2) neuraminidase activity


J Med Chem 61: 6379-6397 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00929
BindingDB Entry DOI: 10.7270/Q2H41V0C
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescen...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526911
PNG
(CHEMBL4468358)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 49n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526926
PNG
(CHEMBL4516144)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271265
PNG
(CHEMBL4126987)
Show SMILES [H][C@]1(O[C@](F)([C@H](F)C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
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n/an/a 313n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescen...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271265
PNG
(CHEMBL4126987)
Show SMILES [H][C@]1(O[C@](F)([C@H](F)C[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
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n/an/a 318n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substra...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271273
PNG
(CHEMBL4127125)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1C[C@H](O)CO)C(O)=O |r|
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1
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n/an/a 345n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substra...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526922
PNG
(CHEMBL4463508)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C25H36N6O3/c1-4-21(5-2)34-23-14-19(13-22(26)24(23)28-17(3)32)25(33)27-15-20-16-31(30-29-20)12-11-18-9-7-6-8-10-18/h6-10,14,16,21-24H,4-5,11-13,15,26H2,1-3H3,(H,27,33)(H,28,32)/t22-,23+,24+/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526916
PNG
(CHEMBL4438272)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O5/c1-4-18(5-2)35-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-6-8-34-9-7-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271273
PNG
(CHEMBL4127125)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1C[C@H](O)CO)C(O)=O |r|
Show InChI InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1
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n/an/a 472n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescen...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526924
PNG
(CHEMBL4553522)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C29H44N8O7/c1-7-18(8-2)43-21-10-17(9-19(30)25(21)31-16(4)39)27(41)33-29(5,6)23-13-37(35-34-23)20-11-24(44-22(20)14-38)36-12-15(3)26(40)32-28(36)42/h10,12-13,18-22,24-25,38H,7-9,11,14,30H2,1-6H3,(H,31,39)(H,33,41)(H,32,40,42)/t19-,20-,21+,22+,24+,25+/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526912
PNG
(CHEMBL4444018)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3/c1-4-20(5-2)33-22-12-18(11-21(25)23(22)27-16(3)31)24(32)26-13-19-15-30(29-28-19)14-17-9-7-6-8-10-17/h6-10,12,15,20-23H,4-5,11,13-14,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526898
PNG
(CHEMBL4532651)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7|
Show InChI InChI=1S/C27H40N8O7/c1-5-18(6-2)41-21-8-16(7-19(28)24(21)30-15(4)37)26(39)29-10-17-12-35(33-32-17)20-9-23(42-22(20)13-36)34-11-14(3)25(38)31-27(34)40/h8,11-12,18-24,36H,5-7,9-10,13,28H2,1-4H3,(H,29,39)(H,30,37)(H,31,38,40)/t19-,20-,21+,22+,23+,24+/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526905
PNG
(CHEMBL4462524)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCCC2)nn1 |r,c:7|
Show InChI InChI=1S/C23H37N7O4/c1-4-18(5-2)34-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-8-6-7-9-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526900
PNG
(CHEMBL4452996)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-18(5-2)35-22-10-16(9-21(27)23(22)29-14(3)33)24(34)28-11-17-13-32(31-30-17)12-15-6-7-19(25)20(26)8-15/h6-8,10,13,18,21-23H,4-5,9,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526919
PNG
(CHEMBL4467055)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-19(5-2)36-22-11-17(10-20(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-8-6-7-9-21(16)31(34)35/h6-9,11,14,19-20,22-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t20-,22+,23+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526907
PNG
(CHEMBL4565515)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-6-8-19(9-7-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526909
PNG
(CHEMBL4576390)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Cl)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50516183
PNG
(CHEMBL4519625)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)NCc1ccc(Cl)cc1 |r,c:7|
Show InChI InChI=1S/C32H43ClN4O3/c1-4-28(5-2)40-30-19-25(32(39)35-21-23-8-12-26(33)13-9-23)18-29(31(30)36-22(3)38)34-20-24-10-14-27(15-11-24)37-16-6-7-17-37/h8-15,19,28-31,34H,4-7,16-18,20-21H2,1-3H3,(H,35,39)(H,36,38)/t29-,30+,31+/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 (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 in using 4-MUNANA as substrate preincubated for 10 mins followed by...


Eur J Med Chem 178: 64-80 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.076
BindingDB Entry DOI: 10.7270/Q2S46WBN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526923
PNG
(CHEMBL4457412)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C30H38N6O3/c1-4-26(5-2)39-28-16-24(15-27(31)29(28)33-20(3)37)30(38)32-17-25-19-36(35-34-25)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,16,19,26-29H,4-5,15,17-18,31H2,1-3H3,(H,32,38)(H,33,37)/t27-,28+,29+/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526903
PNG
(CHEMBL4470325)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-7-6-8-19(9-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526895
PNG
(CHEMBL4570966)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271298
PNG
(CHEMBL4128362)
Show SMILES [H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substra...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526915
PNG
(CHEMBL4460766)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)C1CCCCC1 |r,c:7|
Show InChI InChI=1S/C23H38N6O3/c1-4-19(5-2)32-21-12-16(11-20(24)22(21)26-15(3)30)23(31)25-13-17-14-29(28-27-17)18-9-7-6-8-10-18/h12,14,18-22H,4-11,13,24H2,1-3H3,(H,25,31)(H,26,30)/t20-,21+,22+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50271298
PNG
(CHEMBL4128362)
Show SMILES [H][C@]1(O[C@](F)([C@H](F)[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



CSIRO Manufacturing

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase activity using 4-MUNANA as substrate measured every min for 60 mins by fluorescen...


J Med Chem 61: 1921-1933 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01467
BindingDB Entry DOI: 10.7270/Q2ST7S97
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526913
PNG
(CHEMBL4456723)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)C#N)nn1 |r,c:7|
Show InChI InChI=1S/C25H33N7O3/c1-4-21(5-2)35-23-11-19(10-22(27)24(23)29-16(3)33)25(34)28-13-20-15-32(31-30-20)14-18-8-6-17(12-26)7-9-18/h6-9,11,15,21-24H,4-5,10,13-14,27H2,1-3H3,(H,28,34)(H,29,33)/t22-,23+,24+/m0/s1
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n/an/a 1.96E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526908
PNG
(CHEMBL4552973)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.11E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526896
PNG
(CHEMBL4462358)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(C)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C25H36N6O3/c1-5-21(6-2)34-23-12-19(11-22(26)24(23)28-17(4)32)25(33)27-13-20-15-31(30-29-20)14-18-9-7-16(3)8-10-18/h7-10,12,15,21-24H,5-6,11,13-14,26H2,1-4H3,(H,27,33)(H,28,32)/t22-,23+,24+/m0/s1
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n/an/a 2.18E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526899
PNG
(CHEMBL4543946)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/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 (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526910
PNG
(CHEMBL4445939)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Br)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.29E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526921
PNG
(CHEMBL4447544)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Br)c2)nn1 |r,c:7|
Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1
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n/an/a 2.32E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50516191
PNG
(CHEMBL4563229)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N2CCCC2)[C@H]1NC(C)=O)C(=O)N[C@H](C(C)C)C(O)=O |r,c:7|
Show InChI InChI=1S/C30H46N4O5/c1-6-24(7-2)39-26-17-22(29(36)33-27(19(3)4)30(37)38)16-25(28(26)32-20(5)35)31-18-21-10-12-23(13-11-21)34-14-8-9-15-34/h10-13,17,19,24-28,31H,6-9,14-16,18H2,1-5H3,(H,32,35)(H,33,36)(H,37,38)/t25-,26+,27+,28+/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 in using 4-MUNANA as substrate preincubated for 10 mins followed by...


Eur J Med Chem 178: 64-80 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.076
BindingDB Entry DOI: 10.7270/Q2S46WBN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526904
PNG
(CHEMBL4591238)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(F)cc2Cl)nn1 |r,c:7|
Show InChI InChI=1S/C24H32ClFN6O3/c1-4-19(5-2)35-22-9-16(8-21(27)23(22)29-14(3)33)24(34)28-11-18-13-32(31-30-18)12-15-6-7-17(26)10-20(15)25/h6-7,9-10,13,19,21-23H,4-5,8,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1
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n/an/a 2.42E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526914
PNG
(CHEMBL4455147)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc3ccccc3c2)nn1 |r,c:7|
Show InChI InChI=1S/C28H36N6O3/c1-4-24(5-2)37-26-14-22(13-25(29)27(26)31-18(3)35)28(36)30-15-23-17-34(33-32-23)16-19-10-11-20-8-6-7-9-21(20)12-19/h6-12,14,17,24-27H,4-5,13,15-16,29H2,1-3H3,(H,30,36)(H,31,35)/t25-,26+,27+/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 (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526901
PNG
(CHEMBL4460594)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CSc2ccccc2)nn1 |r,c:7|
Show InChI InChI=1S/C24H34N6O3S/c1-4-19(5-2)33-22-12-17(11-21(25)23(22)27-16(3)31)24(32)26-13-18-14-30(29-28-18)15-34-20-9-7-6-8-10-20/h6-10,12,14,19,21-23H,4-5,11,13,15,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1
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n/an/a 3.44E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526917
PNG
(CHEMBL4445817)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7|
Show InChI InChI=1S/C25H35N7O5/c1-4-21(5-2)37-23-13-18(12-22(26)24(23)28-16(3)33)25(34)27-11-10-19-15-31(30-29-19)14-17-6-8-20(9-7-17)32(35)36/h6-9,13,15,21-24H,4-5,10-12,14,26H2,1-3H3,(H,27,34)(H,28,33)/t22-,23+,24+/m0/s1
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n/an/a 3.48E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526906
PNG
(CHEMBL4438764)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(Cc2ccc(Br)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C26H37BrN6O3/c1-6-20(7-2)36-22-13-18(12-21(28)24(22)29-16(3)34)25(35)30-26(4,5)23-15-33(32-31-23)14-17-8-10-19(27)11-9-17/h8-11,13,15,20-22,24H,6-7,12,14,28H2,1-5H3,(H,29,34)(H,30,35)/t21-,22+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.05E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM50526925
PNG
(CHEMBL4547711)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccc(Br)cc2)nn1 |r,c:7|
Show InChI InChI=1S/C25H35BrN6O3/c1-4-21(5-2)35-23-13-18(12-22(27)24(23)29-16(3)33)25(34)28-14-20-15-32(31-30-20)11-10-17-6-8-19(26)9-7-17/h6-9,13,15,21-24H,4-5,10-12,14,27H2,1-3H3,(H,28,34)(H,29,33)/t22-,23+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.54E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...


Eur J Med Chem 187: (2020)


Article DOI: 10.1016/j.ejmech.2019.111940
BindingDB Entry DOI: 10.7270/Q26Q21PV
More data for this
Ligand-Target Pair
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