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Compile Data Set for Download or QSAR

Found 28 hits of ki for UniProtKB: P03470   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuraminidase


(Influenza A virus)
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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0.160n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50343682
PNG
(((1S,5R,6R)-6-acetamido-3-carboxy-5-(pentan-3-ylox...)
Show SMILES [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6,10-13H,4-5,7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343681
PNG
((3S,4R,5R)-4-Acetamido-3-amino-5-(1-ethylpropoxy)c...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
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/h6,10-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343684
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethyl-propoxy)-3-[4-(1...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-5-13(6-2)28-17-9-12(19(26)27)8-15(18(17)20-11(4)24)23-10-14(21-22-23)16(25)7-3/h8,10,13,15-18,25H,5-7,9H2,1-4H3,(H,20,24)(H,26,27)/t15-,16?,17+,18+/m0/s1
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72n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50365357
PNG
(CHEMBL4168935)
Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7|
Show InChI InChI=1S/C20H33N7O5/c1-5-11(6-2)32-15-8-12(19(30)31)18(27-9-13(25-26-27)14(29)7-3)17(24-20(21)22)16(15)23-10(4)28/h8-9,11,14-18,29H,5-7H2,1-4H3,(H,23,28)(H,30,31)(H4,21,22,24)/t14?,15-,16+,17-,18+/m1/s1
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>100n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (H1N1) 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)
BDBM50365364
PNG
(CHEMBL4161008)
Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7|
Show InChI InChI=1S/C19H31N5O5/c1-5-11(6-2)29-15-8-12(19(27)28)18(16(20)17(15)21-10(4)25)24-9-13(22-23-24)14(26)7-3/h8-9,11,14-18,26H,5-7,20H2,1-4H3,(H,21,25)(H,27,28)/t14?,15-,16-,17+,18+/m1/s1
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>100n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (H1N1) 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)
BDBM50343685
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(1-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,13-15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t14-,15+,17+/m0/s1
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130n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343683
PNG
((3S,4R,5R)-4-Acetamido-5-(1-ethylpropoxy)-3-[4-(3-...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCCO)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C19H30N4O5/c1-4-15(5-2)28-17-10-13(19(26)27)9-16(18(17)20-12(3)25)23-11-14(21-22-23)7-6-8-24/h9,11,15-18,24H,4-8,10H2,1-3H3,(H,20,25)(H,26,27)/t16-,17+,18+/m0/s1
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460n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343686
PNG
((3S,4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phe...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:8|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,20-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t21-,22+,23+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50365366
PNG
(CHEMBL1232591)
Show SMILES [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6|
Show InChI InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Paris/2590/2009(H1N1)) neuraminidase activity by fluorometric assay


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)
BDBM50494843
PNG
(CHEMBL3092166)
Show SMILES CCC(CC)C(=O)Nc1cc(NC(C)=O)c(NC(=O)\C=C\c2ccc(O)c(O)c2)cc1OCC(O)=O
Show InChI InChI=1S/C25H29N3O8/c1-4-16(5-2)25(35)28-19-11-17(26-14(3)29)18(12-22(19)36-13-24(33)34)27-23(32)9-7-15-6-8-20(30)21(31)10-15/h6-12,16,30-31H,4-5,13H2,1-3H3,(H,26,29)(H,27,32)(H,28,35)(H,33,34)/b9-7+
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2.70E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Non competitive inhibition of Influenza A virus (A/Chicken/Shandong/LY/08(H9N2)) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prio...


Bioorg Med Chem 21: 7715-23 (2013)


Article DOI: 10.1016/j.bmc.2013.10.020
BindingDB Entry DOI: 10.7270/Q2445QFN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343689
PNG
((3S,4R,5R)-4-acetamido-3-(4-((8R,9S,13S,14S,17S)-3...)
Show SMILES CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(C)=O)n1cc(nn1)[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C)C(O)=O |r,c:8|
Show InChI InChI=1S/C34H46N4O6/c1-5-23(6-2)44-29-17-21(32(41)42)16-28(31(29)35-19(3)39)38-18-30(36-37-38)34(43)14-12-27-26-9-7-20-15-22(40)8-10-24(20)25(26)11-13-33(27,34)4/h8,10,15-16,18,23,25-29,31,40,43H,5-7,9,11-14,17H2,1-4H3,(H,35,39)(H,41,42)/t25-,26-,27+,28+,29-,31-,33+,34-/m1/s1
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5.80E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50365366
PNG
(CHEMBL1232591)
Show SMILES [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6|
Show InChI InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/HongKong/156/97 (H5N1)) neuraminidase activity by fluorometric assay


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)
BDBM50365366
PNG
(CHEMBL1232591)
Show SMILES [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6|
Show InChI InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic ...


Eur J Med Chem 54: 764-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.033
BindingDB Entry DOI: 10.7270/Q2FT8PVF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50494857
PNG
(CHEMBL3092329)
Show SMILES CCC(CC)C(=O)Nc1cc(NC(=O)[C@H](C)NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O |r|
Show InChI InChI=1S/C26H31N3O8/c1-4-17(5-2)26(36)29-19-13-18(8-10-22(19)37-14-24(33)34)28-25(35)15(3)27-23(32)11-7-16-6-9-20(30)21(31)12-16/h6-13,15,17,30-31H,4-5,14H2,1-3H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/b11-7+/t15-/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Non competitive inhibition of influenza A virus A/duck/China/QJ/01(H5N1) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to sub...


Bioorg Med Chem 21: 7715-23 (2013)


Article DOI: 10.1016/j.bmc.2013.10.020
BindingDB Entry DOI: 10.7270/Q2445QFN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50492018
PNG
(CHEMBL2392125)
Show SMILES CCC(CC)C(=O)Nc1cc(NC(=O)\C=C\c2ccc(O)c(O)c2)ccc1OCC(O)=O
Show InChI InChI=1S/C23H26N2O7/c1-3-15(4-2)23(31)25-17-12-16(7-9-20(17)32-13-22(29)30)24-21(28)10-6-14-5-8-18(26)19(27)11-14/h5-12,15,26-27H,3-4,13H2,1-2H3,(H,24,28)(H,25,31)(H,29,30)/b10-6+
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1.15E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Influenza A virus (A/chicken/Sandong/Li/2008(H9N2)) neuraminidase N2 using 4-MU-NANA as substrate by Lineweaver-Burk pl...


Bioorg Med Chem Lett 23: 3556-60 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.033
BindingDB Entry DOI: 10.7270/Q2R78J49
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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1.20E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343690
PNG
((4R,5R)-4-acetamido-3-(4-(2-hydroxypropan-2-yl)-1H...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(nn1)C(C)(C)O)C(O)=O |r,c:9|
Show InChI InChI=1S/C19H30N4O5/c1-6-13(7-2)28-15-9-12(18(25)26)8-14(17(15)20-11(3)24)23-10-16(21-22-23)19(4,5)27/h8,10,12-13,15,17,27H,6-7,9H2,1-5H3,(H,20,24)(H,25,26)/t12?,15-,17-/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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2.49E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50494851
PNG
(CHEMBL3092327)
Show SMILES CCC(CC)C(=O)Nc1cc(ccc1OCC(O)=O)N(Cc1ccccc1)C(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C30H32N2O7/c1-3-22(4-2)30(38)31-24-17-23(12-14-27(24)39-19-29(36)37)32(18-21-8-6-5-7-9-21)28(35)15-11-20-10-13-25(33)26(34)16-20/h5-17,22,33-34H,3-4,18-19H2,1-2H3,(H,31,38)(H,36,37)/b15-11+
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3.25E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Non competitive inhibition of influenza A virus A/duck/China/QJ/01(H5N1) neuraminidase using 4-MU-NANA as substrate incubated for 5 mins prior to sub...


Bioorg Med Chem 21: 7715-23 (2013)


Article DOI: 10.1016/j.bmc.2013.10.020
BindingDB Entry DOI: 10.7270/Q2445QFN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50483016
PNG
(ERYTHRADDISON B)
Show SMILES COc1ccc(\C(C=O)=C/c2ccc(O)cc2OC)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-5-6-15(16(20)9-14)12(10-18)7-11-3-4-13(19)8-17(11)22-2/h3-10,19-20H,1-2H3/b12-7-
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3.26E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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3.41E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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4.14E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis


J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50343680
PNG
((4R,5R)-4-acetamido-5-(pentan-3-yloxy)-3-(4-phenet...)
Show SMILES CCC(CC)O[C@@H]1CC(C=C([C@H]1NC(C)=O)n1cc(CCc2ccccc2)nn1)C(O)=O |r,c:9|
Show InChI InChI=1S/C24H32N4O4/c1-4-20(5-2)32-22-14-18(24(30)31)13-21(23(22)25-16(3)29)28-15-19(26-27-28)12-11-17-9-7-6-8-10-17/h6-10,13,15,18,20,22-23H,4-5,11-12,14H2,1-3H3,(H,25,29)(H,30,31)/t18?,22-,23-/m1/s1
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6.00E+4n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of influenza A nuraminidase N1


J Med Chem 53: 7377-91 (2010)


Article DOI: 10.1021/jm100822f
BindingDB Entry DOI: 10.7270/Q2S75K5B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50483015
PNG
(5''-Prenylbutein | 5'-PRENYLBUTEIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-5-14-9-13(10-19(24)20(14)25)4-8-17(22)16-7-6-15(21)11-18(16)23/h3-4,6-11,21,23-25H,5H2,1-2H3/b8-4+
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6.75E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50212400
PNG
(1-(2,4-Dihydroxyphenyl)-3-[4-hydroxy-3-(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])ccc1-[#8]
Show InChI InChI=1S/C20H20O4/c1-13(2)3-6-15-11-14(4-9-18(15)22)5-10-19(23)17-8-7-16(21)12-20(17)24/h3-5,7-12,21-22,24H,6H2,1-2H3/b10-5+
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6.78E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50370984
PNG
(Abyssinone Vi | CHEMBL508727)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8])cc2-[#8])cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
Show InChI InChI=1S/C25H28O4/c1-16(2)5-8-19-13-18(14-20(25(19)29)9-6-17(3)4)7-12-23(27)22-11-10-21(26)15-24(22)28/h5-7,10-15,26,28-29H,8-9H2,1-4H3/b12-7+
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6.87E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair