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PubMed code 25198831

Compile data set for download or QSAR
Found 14 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)		BDBM50497276
PNG
(CHEMBL3330708)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C13H20N4O7.Na/c1-5(2)12(21)15-9-6(16-17-14)3-8(13(22)23)24-11(9)10(20)7(19)4-18;/h3,5-7,9-11,18-20H,4H2,1-2H3,(H,15,21)(H,22,23);/q;+1/p-1/t6-,7+,9+,10+,11+;/m0./s1
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n/an/a 500n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497281
PNG
(CHEMBL3330844)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-1)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C13H18N4O7.Na/c14-17-16-6-3-8(13(22)23)24-11(10(20)7(19)4-18)9(6)15-12(21)5-1-2-5;/h3,5-7,9-11,18-20H,1-2,4H2,(H,15,21)(H,22,23);/q;+1/p-1/t6-,7+,9+,10+,11+;/m0./s1
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n/an/a 910n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497279
PNG
(CHEMBL3330846)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C14H22N4O7.Na/c1-3-6(2)13(22)16-10-7(17-18-15)4-9(14(23)24)25-12(10)11(21)8(20)5-19;/h4,6-8,10-12,19-21H,3,5H2,1-2H3,(H,16,22)(H,23,24);/q;+1/p-1/t6?,7-,8+,10+,11+,12+;/m0./s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497280
PNG
(CHEMBL3330845)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C14H20N4O7.Na/c15-18-17-7-4-9(14(23)24)25-12(11(21)8(20)5-19)10(7)16-13(22)6-2-1-3-6;/h4,6-8,10-12,19-21H,1-3,5H2,(H,16,22)(H,23,24);/q;+1/p-1/t7-,8+,10+,11+,12+;/m0./s1
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n/an/a 1.92E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497275
PNG
(CHEMBL3330709)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C13H21NO8.Na/c1-5(2)12(19)14-9-6(16)3-8(13(20)21)22-11(9)10(18)7(17)4-15;/h3,5-7,9-11,15-18H,4H2,1-2H3,(H,14,19)(H,20,21);/q;+1/p-1/t6-,7+,9+,10+,11+;/m0./s1
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n/an/a 3.82E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497285
PNG
(CHEMBL3330704)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C11H16N4O7.Na/c1-4(17)13-8-5(14-15-12)2-7(11(20)21)22-10(8)9(19)6(18)3-16;/h2,5-6,8-10,16,18-19H,3H2,1H3,(H,13,17)(H,20,21);/q;+1/p-1/t5-,6+,8+,9+,10+;/m0./s1
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n/an/a 3.92E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497278
PNG
(CHEMBL3330847)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](\[#6])=[#6]\[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C14H20N4O7.Na/c1-3-6(2)13(22)16-10-7(17-18-15)4-9(14(23)24)25-12(10)11(21)8(20)5-19;/h3-4,7-8,10-12,19-21H,5H2,1-2H3,(H,16,22)(H,23,24);/q;+1/p-1/b6-3+;/t7-,8+,10+,11+,12+;/m0./s1
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n/an/a 7.76E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497277
PNG
(CHEMBL3330849)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6]-[#8])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C13H20N4O8.Na/c1-5(3-18)12(22)15-9-6(16-17-14)2-8(13(23)24)25-11(9)10(21)7(20)4-19;/h2,5-7,9-11,18-21H,3-4H2,1H3,(H,15,22)(H,23,24);/q;+1/p-1/t5?,6-,7+,9+,10+,11+;/m0./s1
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n/an/a 9.49E+3n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497283
PNG
(CHEMBL3330705)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C11H17NO8.Na/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);/q;+1/p-1/t5-,6+,8+,9+,10+;/m0./s1
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n/an/a 6.38E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497282
PNG
(CHEMBL3330848)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#8])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C12H18N4O8.Na/c1-4(18)11(21)14-8-5(15-16-13)2-7(12(22)23)24-10(8)9(20)6(19)3-17;/h2,4-6,8-10,17-20H,3H2,1H3,(H,14,21)(H,22,23);/q;+1/p-1/t4?,5-,6+,8+,9+,10+;/m0./s1
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n/an/a 6.81E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497286
PNG
(CHEMBL3330710)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C13H22N2O7.Na/c1-5(2)12(19)15-9-6(14)3-8(13(20)21)22-11(9)10(18)7(17)4-16;/h3,5-7,9-11,16-18H,4,14H2,1-2H3,(H,15,19)(H,20,21);/q;+1/p-1/t6-,7+,9+,10+,11+;/m0./s1
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n/an/a 2.61E+5n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497284
PNG
(CHEMBL3330843)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#6])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C14H24N4O7.Na/c1-5(2)12(22)18-9-6(17-14(15)16)3-8(13(23)24)25-11(9)10(21)7(20)4-19;/h3,5-7,9-11,19-21H,4H2,1-2H3,(H,18,22)(H,23,24)(H4,15,16,17);/q;+1/p-1/t6-,7+,9+,10+,11+;/m0./s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497274
PNG
(CHEMBL3330706)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C11H18N2O7.Na/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);/q;+1/p-1/t5-,6+,8+,9+,10+;/m0./s1
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50497287
PNG
(CHEMBL3330707)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C12H20N4O7.Na/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);/q;+1/p-1/t5-,6+,8+,9+,10+;/m0./s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...

J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%