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PubMed code 10450950

Compile data set for download or QSAR
Found 16 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 B


(Influenza B virus (B/Lee/40))
BDBM5279
PNG
(3-carbamimidamido-4-[2-(hydroxymethyl)-5-oxopyrrol...)
Show SMILES NC(=N)Nc1cc(ccc1N1C(CO)CCC1=O)C(O)=O
Show InChI InChI=1S/C13H16N4O4/c14-13(15)16-9-5-7(12(20)21)1-3-10(9)17-8(6-18)2-4-11(17)19/h1,3,5,8,18H,2,4,6H2,(H,20,21)(H4,14,15,16)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
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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Article
PubMed
n/an/a 1.00E+4n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Memphis/3/89))
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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PubMed
n/an/a 1.00E+4n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
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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PubMed
n/an/a 1.00E+4n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM5279
PNG
(3-carbamimidamido-4-[2-(hydroxymethyl)-5-oxopyrrol...)
Show SMILES NC(=N)Nc1cc(ccc1N1C(CO)CCC1=O)C(O)=O
Show InChI InChI=1S/C13H16N4O4/c14-13(15)16-9-5-7(12(20)21)1-3-10(9)17-8(6-18)2-4-11(17)19/h1,3,5,8,18H,2,4,6H2,(H,20,21)(H4,14,15,16)
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4723
PNG
(3,5-dicarbamimidamido-4-acetamidobenzoic acid | Be...)
Show SMILES CC(=O)Nc1c(cc(cc1N=C(N)N)C(O)=O)N=C(N)N
Show InChI InChI=1S/C11H15N7O3/c1-4(19)16-8-6(17-10(12)13)2-5(9(20)21)3-7(8)18-11(14)15/h2-3H,1H3,(H,16,19)(H,20,21)(H4,12,13,17)(H4,14,15,18)
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Article
PubMed
n/an/a 2.50E+5n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM5278
PNG
(3-carbamimidamido-4-(2-oxopyrrolidin-1-yl)benzoic ...)
Show SMILES NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
Show InChI InChI=1S/C12H14N4O3/c13-12(14)15-8-6-7(11(18)19)3-4-9(8)16-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,18,19)(H4,13,14,15)
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Article
PubMed
n/an/a 2.50E+5n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5272
PNG
(3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)be...)
Show SMILES CCC(CC)Oc1cc(cc(N=C(N)N)c1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H22N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h6-7,10H,4-5H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)
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PubMed
n/an/a 5.00E+5n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5267
PNG
(4-(N-Acetylamino)-3-[N-(2-ethylbutanoyl)amino]benz...)
Show SMILES CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H20N2O4/c1-4-10(5-2)14(19)17-13-8-11(15(20)21)6-7-12(13)16-9(3)18/h6-8,10H,4-5H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
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Article
PubMed
n/an/a 6.70E+5n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Memphis/3/89))
BDBM5278
PNG
(3-carbamimidamido-4-(2-oxopyrrolidin-1-yl)benzoic ...)
Show SMILES NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
Show InChI InChI=1S/C12H14N4O3/c13-12(14)15-8-6-7(11(18)19)3-4-9(8)16-5-1-2-10(16)17/h3-4,6H,1-2,5H2,(H,18,19)(H4,13,14,15)
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PubMed
n/an/a 1.00E+6n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5271
PNG
(3-amino-4-acetamido-5-(pentan-3-yloxy)benzoic acid...)
Show SMILES CCC(CC)Oc1cc(cc(N)c1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H20N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h6-7,10H,4-5,15H2,1-3H3,(H,16,17)(H,18,19)
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PubMed
n/an/a 2.00E+6n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5268
PNG
(4-(N- Acetylamino) -3 - [N- (3 - pentyl)amino]benz...)
Show SMILES CCC(CC)Nc1cc(ccc1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H20N2O3/c1-4-11(5-2)16-13-8-10(14(18)19)6-7-12(13)15-9(3)17/h6-8,11,16H,4-5H2,1-3H3,(H,15,17)(H,18,19)
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PubMed
n/an/a 2.30E+6n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5269
PNG
(4-(N-Acetylamino) -3- (3- pentyloxy)benzoic acid |...)
Show SMILES CCC(CC)Oc1cc(ccc1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H19NO4/c1-4-11(5-2)19-13-8-10(14(17)18)6-7-12(13)15-9(3)16/h6-8,11H,4-5H2,1-3H3,(H,15,16)(H,17,18)
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PubMed
n/an/a>5.00E+6n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5270
PNG
(4-(N-Acetylamino) -3- (4- heptyloxy)benzoic acid |...)
Show SMILES CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O
Show InChI InChI=1S/C16H23NO4/c1-4-6-13(7-5-2)21-15-10-12(16(19)20)8-9-14(15)17-11(3)18/h8-10,13H,4-7H2,1-3H3,(H,17,18)(H,19,20)
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PubMed
n/an/a>1.00E+7n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5273
PNG
(4-acetamido-3-hydroxybenzoic acid | BANA 101)
Show SMILES CC(=O)Nc1ccc(cc1O)C(O)=O
Show InChI InChI=1S/C9H9NO4/c1-5(11)10-7-3-2-6(9(13)14)4-8(7)12/h2-4,12H,1H3,(H,10,11)(H,13,14)
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PubMed
n/an/a>1.00E+7n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5274
PNG
(3-amino-4-acetamidobenzoic acid | BANA 108 | CHEMB...)
Show SMILES CC(=O)Nc1ccc(cc1N)C(O)=O
Show InChI InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14)
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Article
PubMed
n/an/a>2.00E+7n/an/an/an/a6.537



University of Alabama at Birmingham



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 9: 1901-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00318-2
BindingDB Entry DOI: 10.7270/Q2T72FN4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%