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PubMed code 18255197

Compile data set for download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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)
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 1.00E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50078329
PNG
(1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDR...)
Show SMILES CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O
Show InChI InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478617
PNG
(CHEMBL460452)
Show SMILES CC[C@@H](Cc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
Show InChI InChI=1S/C19H26N2O4/c1-3-15(9-13-7-5-4-6-8-13)25-17-11-14(19(23)24)10-16(20)18(17)21-12(2)22/h4-8,11,15-18H,3,9-10,20H2,1-2H3,(H,21,22)(H,23,24)/t15-,16-,17+,18+/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478616
PNG
(CHEMBL311059)
Show SMILES CCC(C)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
Show InChI InChI=1S/C14H24N4O4/c1-4-7(2)22-11-6-9(13(20)21)5-10(18-14(15)16)12(11)17-8(3)19/h6-7,10-12H,4-5H2,1-3H3,(H,17,19)(H,20,21)(H4,15,16,18)/t7?,10-,11+,12+/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50028503
PNG
(CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
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/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a 5.00E+5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478634
PNG
(CHEMBL513444)
Show SMILES CC[C@H](O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C=C |r,c:5|
Show InChI InChI=1S/C14H22N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h4,7,10-13H,1,5-6,15H2,2-3H3,(H,16,17)(H,18,19)/t10-,11+,12-,13-/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
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 |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 1.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50478623
PNG
(CHEMBL98262)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
Show InChI InChI=1S/C14H23N5O5/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/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478622
PNG
(CHEMBL433269)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
Show InChI InChI=1S/C16H27N5O5/c1-4-6-21(7-5-2)14(23)13-12(19-9(3)22)10(20-16(17)18)8-11(26-13)15(24)25/h8,10,12-13H,4-7H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10-,12+,13+/m0/s1
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n/an/a 2.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4937
PNG
((2R,3R,4S)-4-amino-2-(diethylcarbamoyl)-3-acetamid...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
Show InChI InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
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n/an/a 3.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478627
PNG
(CHEMBL300461)
Show SMILES CCCN(C)C(=O)[C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
Show InChI InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
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n/an/a 4.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50078330
PNG
(1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMET...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1cc(ccc1-[#7]1-[#6](=O)-[#6]-[#6]C1([#6]-[#8])[#6]-[#8])-[#6](-[#8])=O
Show InChI InChI=1S/C14H18N4O5/c15-13(16)17-9-5-8(12(22)23)1-2-10(9)18-11(21)3-4-14(18,6-19)7-20/h1-2,5,19-20H,3-4,6-7H2,(H,22,23)(H4,15,16,17)
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n/an/a 5.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
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 [#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 5.00E+6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus)
BDBM50478624
PNG
(CHEMBL309192)
Show SMILES CCC(C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
Show InChI InChI=1S/C13H22N2O4/c1-4-7(2)19-11-6-9(13(17)18)5-10(14)12(11)15-8(3)16/h6-7,10-12H,4-5,14H2,1-3H3,(H,15,16)(H,17,18)/t7?,10-,11+,12+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4929
PNG
((2R,3R,4S)-4-amino-2-(dipropylcarbamoyl)-3-acetami...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
Show InChI InChI=1S/C15H25N3O5/c1-4-6-18(7-5-2)14(20)13-12(17-9(3)19)10(16)8-11(23-13)15(21)22/h8,10,12-13H,4-7,16H2,1-3H3,(H,17,19)(H,21,22)/t10-,12+,13+/m0/s1
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n/an/a 1.20E+7n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478630
PNG
(CHEMBL100991)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
Show InChI InChI=1S/C12H19N5O5/c1-5(18)15-8-6(16-12(13)14)4-7(11(20)21)22-9(8)10(19)17(2)3/h4,6,8-9H,1-3H3,(H,15,18)(H,20,21)(H4,13,14,16)/t6-,8+,9+/m0/s1
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n/an/a 2.39E+7n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478614
PNG
(CHEMBL118070)
Show SMILES CC(=O)NC[C@H]1C[C@H](C[C@@H]1NC(N)=N)C(O)=O |r|
Show InChI InChI=1S/C10H18N4O3/c1-5(15)13-4-7-2-6(9(16)17)3-8(7)14-10(11)12/h6-8H,2-4H2,1H3,(H,13,15)(H,16,17)(H4,11,12,14)/t6-,7-,8+/m1/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4928
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(propyl)ca...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCC |r,c:3|
Show InChI InChI=1S/C13H21N3O5/c1-4-5-16(3)12(18)11-10(15-7(2)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
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n/an/a 1.80E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478611
PNG
(CHEMBL459839)
Show SMILES CCN(CC)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C13H21F3N4O4/c1-3-19(4-2)12(24)20-6-7(10(21)22)9(17)8(20)5-18-11(23)13(14,15)16/h7-9H,3-6,17H2,1-2H3,(H,18,23)(H,21,22)/t7-,8+,9-/m1/s1
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n/an/a 2.00E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50063303
PNG
((2R,3R,4S)-3-acetamido-4-amino-2-((1R,2R)-1,2,3-tr...)
Show SMILES CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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n/an/a 3.20E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4936
PNG
((2R,3R,4S)-4-amino-2-(dibutylcarbamoyl)-3-acetamid...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCC)CCCC |r,c:3|
Show InChI InChI=1S/C17H29N3O5/c1-4-6-8-20(9-7-5-2)16(22)15-14(19-11(3)21)12(18)10-13(25-15)17(23)24/h10,12,14-15H,4-9,18H2,1-3H3,(H,19,21)(H,23,24)/t12-,14+,15+/m0/s1
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n/an/a 4.50E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478628
PNG
(CHEMBL54149)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
Show InChI InChI=1S/C13H21N5O5/c1-3-4-16-11(20)10-9(17-6(2)19)7(18-13(14)15)5-8(23-10)12(21)22/h5,7,9-10H,3-4H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)(H4,14,15,18)/t7-,9+,10+/m0/s1
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n/an/a 5.00E+8n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478628
PNG
(CHEMBL54149)
Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
Show InChI InChI=1S/C13H21N5O5/c1-3-4-16-11(20)10-9(17-6(2)19)7(18-13(14)15)5-8(23-10)12(21)22/h5,7,9-10H,3-4H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)(H4,14,15,18)/t7-,9+,10+/m0/s1
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Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478612
PNG
(CHEMBL459838)
Show SMILES CC(C)N(CCc1ccccn1)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
Show InChI InChI=1S/C16H24N4O3/c1-11(2)20(8-6-12-5-3-4-7-18-12)16(23)19-9-13(15(21)22)14(17)10-19/h3-5,7,11,13-14H,6,8-10,17H2,1-2H3,(H,21,22)/t13-,14+/m0/s1
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n/an/a 1.30E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478629
PNG
(CHEMBL459837)
Show SMILES CC(C)N(CCCCC(O)=O)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
Show InChI InChI=1S/C14H25N3O5/c1-9(2)17(6-4-3-5-12(18)19)14(22)16-7-10(13(20)21)11(15)8-16/h9-11H,3-8,15H2,1-2H3,(H,18,19)(H,20,21)/t10-,11+/m0/s1
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n/an/a 1.30E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478613
PNG
(CHEMBL511178)
Show SMILES CC(C)N(CCCCCO)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
Show InChI InChI=1S/C14H27N3O4/c1-10(2)17(6-4-3-5-7-18)14(21)16-8-11(13(19)20)12(15)9-16/h10-12,18H,3-9,15H2,1-2H3,(H,19,20)/t11-,12+/m0/s1
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n/an/a 2.00E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478631
PNG
(CHEMBL460871)
Show SMILES CC(C)N(CCCO)C(=O)N1C[C@@H](N)[C@H](C1)C(O)=O
Show InChI InChI=1S/C12H23N3O4/c1-8(2)15(4-3-5-16)12(19)14-6-9(11(17)18)10(13)7-14/h8-10,16H,3-7,13H2,1-2H3,(H,17,18)/t9-,10+/m0/s1
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n/an/a 2.10E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4927
PNG
((2R,3R,4S)-4-amino-2-(dimethylcarbamoyl)-3-acetami...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
Show InChI InChI=1S/C11H17N3O5/c1-5(15)13-8-6(12)4-7(11(17)18)19-9(8)10(16)14(2)3/h4,6,8-9H,12H2,1-3H3,(H,13,15)(H,17,18)/t6-,8+,9+/m0/s1
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n/an/a 2.40E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478626
PNG
(CHEMBL55440)
Show SMILES CC(=O)Nc1ccc(cc1NC(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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n/an/a 2.50E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478635
PNG
(CHEMBL336080)
Show SMILES CNC(=O)c1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C10H12N4O3/c1-13-8(15)6-3-2-5(9(16)17)4-7(6)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
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n/an/a 5.00E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4980
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-hydroxycyclohex-1...)
Show SMILES CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1O)C(O)=O |r,c:8|
Show InChI InChI=1S/C9H14N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h3,6-8,13H,2,10H2,1H3,(H,11,12)(H,14,15)/t6-,7+,8+/m0/s1
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n/an/a 6.30E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
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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n/an/a 8.60E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478633
PNG
(CHEMBL461287)
Show SMILES CS(=O)(=O)c1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C9H11N3O4S/c1-17(15,16)7-3-2-5(8(13)14)4-6(7)12-9(10)11/h2-4H,1H3,(H,13,14)(H4,10,11,12)
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n/an/a 9.00E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM4926
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-(propylcarbamoyl)...)
Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
Show InChI InChI=1S/C12H19N3O5/c1-3-4-14-11(17)10-9(15-6(2)16)7(13)5-8(20-10)12(18)19/h5,7,9-10H,3-4,13H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t7-,9+,10+/m0/s1
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n/an/a 1.90E+10n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478637
PNG
(CHEMBL460251)
Show SMILES [H][C@]1(OP(O)(=O)C[C@H](O)[C@H]1NC(C)=O)[C@@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C9H18NO8P/c1-4(12)10-7-6(14)3-19(16,17)18-9(7)8(15)5(13)2-11/h5-9,11,13-15H,2-3H2,1H3,(H,10,12)(H,16,17)/t5-,6-,7+,8-,9+/m0/s1
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n/an/a 4.00E+10n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50098739
PNG
((3S,4S)-4-amino-1-(tert-butoxycarbonyl)pyrrolidine...)
Show SMILES CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7+/m0/s1
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n/an/a 5.00E+10n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478632
PNG
(CHEMBL513445)
Show SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1NC(C)=O)P(O)(O)=O)[C@@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C10H20NO10P/c1-4(13)11-7-5(14)2-10(17,22(18,19)20)21-9(7)8(16)6(15)3-12/h5-9,12,14-17H,2-3H2,1H3,(H,11,13)(H2,18,19,20)/t5-,6-,7+,8-,9+,10-/m0/s1
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n/an/a 6.00E+10n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478620
PNG
(CHEMBL128311)
Show SMILES CS(=O)(=O)Nc1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C9H12N4O4S/c1-18(16,17)13-6-3-2-5(8(14)15)4-7(6)12-9(10)11/h2-4,13H,1H3,(H,14,15)(H4,10,11,12)
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n/an/a 1.00E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478638
PNG
(CHEMBL460252)
Show SMILES [H][C@@]1(OC(O)(C[C@@H]1O)C(O)=O)[C@H](NC(C)=O)[C@H](O)[C@H](O)CO |r|
Show InChI InChI=1S/C11H19NO9/c1-4(14)12-7(8(17)6(16)3-13)9-5(15)2-11(20,21-9)10(18)19/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9-,11?/m0/s1
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n/an/a 1.15E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478625
PNG
(CHEMBL131196)
Show SMILES CS(=O)(=O)Cc1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C10H13N3O4S/c1-18(16,17)5-7-3-2-6(9(14)15)4-8(7)13-10(11)12/h2-4H,5H2,1H3,(H,14,15)(H4,11,12,13)
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n/an/a 1.40E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478615
PNG
(CHEMBL507302)
Show SMILES [H][C@]1(O[C@@](O)(C[C@H](O)[C@H]1O)P(O)(O)=O)[C@@H](O)[C@@H](O)CO |r|
Show InChI InChI=1S/C8H17O10P/c9-2-4(11)6(13)7-5(12)3(10)1-8(14,18-7)19(15,16)17/h3-7,9-14H,1-2H2,(H2,15,16,17)/t3-,4-,5+,6-,7+,8-/m0/s1
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n/an/a 2.00E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478618
PNG
(CHEMBL334352)
Show SMILES NC(=N)Nc1cc(\C=N\O)cc(c1)C(O)=O
Show InChI InChI=1S/C9H10N4O3/c10-9(11)13-7-2-5(4-12-16)1-6(3-7)8(14)15/h1-4,16H,(H,14,15)(H4,10,11,13)/b12-4+
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n/an/a 5.00E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478636
PNG
(CHEMBL324455)
Show SMILES CC(=O)Nc1c(O)cc(cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C9H8N2O6/c1-4(12)10-8-6(11(16)17)2-5(9(14)15)3-7(8)13/h2-3,13H,1H3,(H,10,12)(H,14,15)
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n/an/a 7.50E+11n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478619
PNG
(3,5-Bis(Diaminomethyleneamino)Benzoic Acid | 3,5-D...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cc(cc(c1)-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C9H12N6O2/c10-8(11)14-5-1-4(7(16)17)2-6(3-5)15-9(12)13/h1-3H,(H,16,17)(H4,10,11,14)(H4,12,13,15)
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n/an/a 1.50E+12n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50478621
PNG
(CHEMBL132451)
Show SMILES CC(=O)Nc1ccc(cc1\C=N\O)C(O)=O
Show InChI InChI=1S/C10H10N2O4/c1-6(13)12-9-3-2-7(10(14)15)4-8(9)5-11-16/h2-5,16H,1H3,(H,12,13)(H,14,15)/b11-5+
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n/an/a 5.50E+12n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%