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Compile Data Set for Download or QSAR

Found 1324 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase'   
Target/Host
(Institution)
LigandTarget/Host
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/Aichi/2/1968 H3N2))
BDBM50360450
PNG
(CHEMBL1934618)
Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,22+,24-/m0/s1
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n/an/an/an/a 4.28E+5n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50360452
PNG
(CHEMBL1934620)
Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1
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n/an/an/an/a 7.43E+5n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360452
PNG
(CHEMBL1934620)
Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1
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n/an/an/an/a 8.40E+5n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1
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n/an/an/an/a 1.08E+6n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50360450
PNG
(CHEMBL1934618)
Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,22+,24-/m0/s1
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n/an/an/an/a 1.35E+6n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50360451
PNG
(CHEMBL1934619)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O
Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1
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n/an/an/an/a 2.48E+6n/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry


Bioorg Med Chem 20: 446-54 (2011)


Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ
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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0.100n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083326
PNG
(3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...)
Show SMILES CCN(CC)C(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)O
Show InChI InChI=1S/C14H25N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11,13,22-23H,4-5H2,1-3H3,(H,17,20)(H4,15,16,18)/t8-,10+,11+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50371257
PNG
(A-315675 | CHEMBL473062)
Show SMILES CCC[C@](C)(OC)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C17H30N2O4/c1-6-8-12-10-13(16(21)22)19-14(12)15(18-11(3)20)17(4,23-5)9-7-2/h6,8,12-15,19H,7,9-10H2,1-5H3,(H,18,20)(H,21,22)/b8-6-/t12-,13-,14-,15-,17+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233737
PNG
((2R,4S,5R)-5-((R)-acetamido((S,Z)-2,3,4,7-tetrahyd...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1)C(O)=O
Show InChI InChI=1S/C17H26N2O4/c1-3-7-12-10-13(17(21)22)19-15(12)16(18-11(2)20)14-8-5-4-6-9-23-14/h3-4,6-7,12-16,19H,5,8-10H2,1-2H3,(H,18,20)(H,21,22)/b7-3-/t12-,13-,14+,15-,16+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083322
PNG
(3-Acetylamino-2-diethylcarbamoyl-6-dihydroxymethyl...)
Show SMILES CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O
Show InChI InChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11,13,19-20H,4-5,14H2,1-3H3,(H,15,17)/p+1/t8-,10+,11+/m0/s1
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0.390n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50330326
PNG
((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233728
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxybut-3-e...)
Show SMILES CO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C15H24N2O4/c1-5-7-10-8-11(15(19)20)17-13(10)14(16-9(3)18)12(6-2)21-4/h5-7,10-14,17H,2,8H2,1,3-4H3,(H,16,18)(H,19,20)/b7-5-/t10-,11-,12+,13-,14+/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083327
PNG
(3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)O
Show InChI InChI=1S/C21H31N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18,20,29-30H,3,9-11H2,1-2H3,(H,24,27)(H4,22,23,25)/t15-,17+,18+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083320
PNG
(3-Acetylamino-6-dihydroxymethyl-2-(phenethyl-propy...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O
Show InChI InChI=1S/C20H29N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18,20,26-27H,3,9-11,21H2,1-2H3,(H,22,24)/p+1/t15-,17+,18+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233741
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-methoxypent-4-...)
Show SMILES CO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C16H26N2O4/c1-5-7-11-9-12(16(20)21)18-14(11)15(17-10(3)19)13(22-4)8-6-2/h5-7,11-15,18H,2,8-9H2,1,3-4H3,(H,17,19)(H,20,21)/b7-5-/t11-,12-,13+,14-,15+/m1/s1
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0.670n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM5024
PNG
((-)-(1S,2S,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylb...)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O
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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0.830n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50040516
PNG
(3-(acetylamino)-4-{[amino(iminio)methyl]amino}-2-[...)
Show SMILES CC(=O)NC1C(OC(=CC1[NH+]=C(N)N)C([O-])=O)C(O)C(O)CO
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)
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1n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
inhibition of Influenza A Sialidase


J Med Chem 37: 616-24 (1994)

Checked by Author
Article DOI: 10.1021/jm00031a011
BindingDB Entry DOI: 10.7270/Q27P901J
More data for this
Ligand-Target Pair
Neuraminidase


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



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase A


(Influenza A virus (A/Shangdong/9/93(H3N2)))
BDBM4934
PNG
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(1R,2R...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
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1 -53.4 5n/an/an/an/a6.537



Gilead Sciences Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


Bioorg Med Chem Lett 7: 1837-42 (1997)


Article DOI: 10.1021/jm048989d
BindingDB Entry DOI: 10.7270/Q2FX77MK
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083333
PNG
(CHEMBL348207 | N-[6-Dihydroxymethyl-4-guanidino-2-...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O)N=C(N)N
Show InChI InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-11,17,19-22H,3H2,1H3,(H,15,18)(H4,13,14,16)/t5-,6+,8+,9?,10+/m0/s1
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1n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
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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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
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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1.10n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233723
PNG
((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxy-2-meth...)
Show SMILES CCC[C@@](C)(O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C16H28N2O4/c1-5-7-11-9-12(15(20)21)18-13(11)14(17-10(3)19)16(4,22)8-6-2/h5,7,11-14,18,22H,6,8-9H2,1-4H3,(H,17,19)(H,20,21)/b7-5-/t11-,12-,13-,14-,16-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233724
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypentyl)...)
Show SMILES CCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C15H26N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4,6,10-14,17,19H,5,7-8H2,1-3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12+,13-,14+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233732
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypent-4-...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC=C)C(O)=O
Show InChI InChI=1S/C15H24N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4-6,10-14,17,19H,2,7-8H2,1,3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12+,13-,14+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233742
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxybut-3-e...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](O)C=C)C(O)=O
Show InChI InChI=1S/C14H22N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4-6,9-13,16,18H,2,7H2,1,3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4707
PNG
(3-(2,2-diaminoimino)-4-methylcarboxamidobenzoate |...)
Show SMILES CC(=O)Nc1ccc(cc1N=C(N)N)C(O)=O
Show InChI InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
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2.5n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against B/Lee/40 Influenza B Neuraminidase.


J Med Chem 42: 2332-43 (1999)


Article DOI: 10.1021/jm980707k
BindingDB Entry DOI: 10.7270/Q25B01NJ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233744
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxybutyl)-...)
Show SMILES CC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11+,12-,13+/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50083328
PNG
(3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...)
Show SMILES CN(C)C(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)O
Show InChI InChI=1S/C12H21N5O5/c1-5(18)15-8-6(16-12(13)14)4-7(11(20)21)22-9(8)10(19)17(2)3/h4,6,8-9,11,20-21H,1-3H3,(H,15,18)(H4,13,14,16)/t6-,8+,9+/m0/s1
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3.30n/an/an/an/an/an/an/an/a



University of Southampton

Curated by ChEMBL


Assay Description
Neuraminidase binding affinity in Influenza A


J Med Chem 42: 5142-52 (2000)


Article DOI: 10.1021/jm990105g
BindingDB Entry DOI: 10.7270/Q27M08NT
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233726
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxybut-3-en...)
Show SMILES CCO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C16H26N2O4/c1-5-8-11-9-12(16(20)21)18-14(11)15(17-10(4)19)13(6-2)22-7-3/h5-6,8,11-15,18H,2,7,9H2,1,3-4H3,(H,17,19)(H,20,21)/b8-5-/t11-,12-,13+,14-,15+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
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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4.90n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233725
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxypropyl)...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](C)O)C(O)=O
Show InChI InChI=1S/C13H22N2O4/c1-4-5-9-6-10(13(18)19)15-12(9)11(7(2)16)14-8(3)17/h4-5,7,9-12,15-16H,6H2,1-3H3,(H,14,17)(H,18,19)/b5-4-/t7-,9+,10+,11-,12+/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50359308
PNG
(CHEMBL1928608)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O
Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of Victoria

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...


Bioorg Med Chem Lett 21: 7137-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.076
BindingDB Entry DOI: 10.7270/Q2WW7J4Q
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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7.90n/an/an/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis Menten equation analysis


Antimicrob Agents Chemother 53: 3088-96 (2009)


Article DOI: 10.1128/AAC.01667-08
BindingDB Entry DOI: 10.7270/Q2VM4CHC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233727
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)but-...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H](OCC=C)C=C)C(O)=O
Show InChI InChI=1S/C17H26N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(7-3)23-9-6-2/h5-8,12-16,19H,2-3,9-10H2,1,4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14+,15-,16+/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233722
PNG
((2R,4S,5R)-5-((R)-acetamido((R)-3,6-dihydro-2H-pyr...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-3-6-11-9-12(16(20)21)18-14(11)15(17-10(2)19)13-7-4-5-8-22-13/h3-6,11-15,18H,7-9H2,1-2H3,(H,17,19)(H,20,21)/b6-3-/t11-,12-,13-,14-,15+/m1/s1
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10.3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233733
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxypent-4-e...)
Show SMILES CCO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C17H28N2O4/c1-5-8-12-10-13(17(21)22)19-15(12)16(18-11(4)20)14(9-6-2)23-7-3/h5-6,8,12-16,19H,2,7,9-10H2,1,3-4H3,(H,18,20)(H,21,22)/b8-5-/t12-,13-,14+,15-,16+/m1/s1
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10.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233740
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-hydroxyhexyl)-...)
Show SMILES CCCC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C16H28N2O4/c1-4-6-8-13(20)15(17-10(3)19)14-11(7-5-2)9-12(18-14)16(21)22/h5,7,11-15,18,20H,4,6,8-9H2,1-3H3,(H,17,19)(H,21,22)/b7-5-/t11-,12-,13+,14-,15+/m1/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233743
PNG
((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-(allyloxy)pent...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](CC=C)OCC=C)C(O)=O
Show InChI InChI=1S/C18H28N2O4/c1-5-8-13-11-14(18(22)23)20-16(13)17(19-12(4)21)15(9-6-2)24-10-7-3/h5-8,13-17,20H,2-3,9-11H2,1,4H3,(H,19,21)(H,22,23)/b8-5-/t13-,14-,15+,16-,17+/m1/s1
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17.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Tokyo/3/67(H2N2)))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233731
PNG
((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxybut-3-e...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@H](O)C=C)C(O)=O
Show InChI InChI=1S/C14H22N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4-6,9-13,16,18H,2,7H2,1,3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11-,12-,13+/m1/s1
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21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233721
PNG
((2R,4S,5R)-5-((R)-acetamido((S)-3,6-dihydro-2H-pyr...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-3-6-11-9-12(16(20)21)18-14(11)15(17-10(2)19)13-7-4-5-8-22-13/h3-6,11-15,18H,7-9H2,1-2H3,(H,17,19)(H,20,21)/b6-3-/t11-,12-,13+,14-,15+/m1/s1
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24.2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233730
PNG
((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxypentyl)...)
Show SMILES CCC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C15H26N2O4/c1-4-6-10-8-11(15(20)21)17-13(10)14(16-9(3)18)12(19)7-5-2/h4,6,10-14,17,19H,5,7-8H2,1-3H3,(H,16,18)(H,20,21)/b6-4-/t10-,11-,12-,13-,14+/m1/s1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM50233738
PNG
((2R,4S,5R)-5-((1R,2R)-1-acetamido-2-hydroxybutyl)-...)
Show SMILES CC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O
Show InChI InChI=1S/C14H24N2O4/c1-4-6-9-7-10(14(19)20)16-12(9)13(11(18)5-2)15-8(3)17/h4,6,9-13,16,18H,5,7H2,1-3H3,(H,15,17)(H,19,20)/b6-4-/t9-,10-,11-,12-,13+/m1/s1
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Memphis/3/93))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
A fluorogenic assay was used to measure influenza virus neuraminidase activity. The substrate, 4-methylumbelliferyl-N-acetylneuraminic acid, is cleav...


J Med Chem 48: 3980-90 (2005)


Article DOI: 10.1021/jm049276y
BindingDB Entry DOI: 10.7270/Q2KP80B9
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of influenza B/Memphis/3/89 neuraminidase


Bioorg Med Chem Lett 18: 1692-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.048
BindingDB Entry DOI: 10.7270/Q2WW7JHN
More data for this
Ligand-Target Pair
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