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Compile Data Set for Download or QSAR

Found 53 hits of ph data with Target = 'Neuraminidase B'   
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))
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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n/an/a 4n/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 9: 2811-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00479-5
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5227
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(pentan-3-...)
Show SMILES CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H27N3O3/c1-5-11(6-2)18(4)13-8-10(15(20)21)7-12(16)14(13)17-9(3)19/h8,11-14H,5-7,16H2,1-4H3,(H,17,19)(H,20,21)/t12-,13+,14+/m0/s1
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n/an/a 60n/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 8: 3321-4 (1998)


Article DOI: 10.1016/s0960-894x(98)00587-3
BindingDB Entry DOI: 10.7270/Q2B56GXM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5249
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3S)-1-hydroxyp...)
Show SMILES CC[C@@H](CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11-,12+,13+/m0/s1
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n/an/a 400n/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 9: 2811-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00479-5
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5265
PNG
((2S,3S,4R)-4-carbamimidamido-3-acetamido-2-[(1R,2S...)
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+/m1/s1
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n/an/a 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 7: 2487-97 (1999)


Article DOI: 10.1021/jm061112p
BindingDB Entry DOI: 10.7270/Q2Z036CV
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5266
PNG
((2S,3S,4R)-4-carbamimidamido-2-(dipropylcarbamoyl)...)
Show SMILES CCCN(CCC)C(=O)[C@H]1OC(=C[C@@H](N=C(N)N)[C@@H]1NC(C)=O)C(O)=O
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+/m1/s1
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n/an/a 500n/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 7: 2487-97 (1999)


Article DOI: 10.1021/jm061112p
BindingDB Entry DOI: 10.7270/Q2Z036CV
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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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/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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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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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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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))
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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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))
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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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))
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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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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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
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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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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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))
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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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))
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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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)
BDBM4926
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-(propylcarbamoyl)...)
Show SMILES CCCNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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 5.00E+4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4927
PNG
((2R,3R,4S)-4-amino-2-(dimethylcarbamoyl)-3-acetami...)
Show SMILES CN(C)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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 6.10E+4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4928
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-[methyl(propyl)ca...)
Show SMILES CCCN(C)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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 2.30E+4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4931
PNG
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-(propyl...)
Show SMILES CCCNC(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O
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 4.40E+4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4932
PNG
((2R,3R,4S)-4-carbamimidamido-2-(dimethylcarbamoyl)...)
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/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 1.10E+4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4933
PNG
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[methyl...)
Show SMILES CCCN(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/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 4.50E+3n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
BDBM4929
PNG
((2R,3R,4S)-4-amino-2-(dipropylcarbamoyl)-3-acetami...)
Show SMILES CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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 2.00E+3n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus)
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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n/an/a 4n/an/an/an/a6.537



Glaxo Wellcome Research and Development Limited



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


J Med Chem 41: 787-97 (1998)


Article DOI: 10.1021/jm970374b
BindingDB Entry DOI: 10.7270/Q2RF5S7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4982
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-ethoxycyclohex-1-...)
Show SMILES CCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C11H18N2O4/c1-3-17-9-5-7(11(15)16)4-8(12)10(9)13-6(2)14/h5,8-10H,3-4,12H2,1-2H3,(H,13,14)(H,15,16)/t8-,9+,10+/m0/s1
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n/an/a 185n/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...


J Med Chem 41: 2451-60 (1998)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2MP51GP
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4984
PNG
((3R,4R,5S)-5-amino-3-butoxy-4-acetamidocyclohex-1-...)
Show SMILES CCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H22N2O4/c1-3-4-5-19-11-7-9(13(17)18)6-10(14)12(11)15-8(2)16/h7,10-12H,3-6,14H2,1-2H3,(H,15,16)(H,17,18)/t10-,11+,12+/m0/s1
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n/an/a 215n/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...


J Med Chem 41: 2451-60 (1998)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2MP51GP
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4986
PNG
((3R,4R,5S)-4-Acetamido-5-amino-3-(hexyloxy)-1-cycl...)
Show SMILES CCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O4/c1-3-4-5-6-7-21-13-9-11(15(19)20)8-12(16)14(13)17-10(2)18/h9,12-14H,3-8,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13+,14+/m0/s1
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n/an/a 1.45E+3n/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...


J Med Chem 41: 2451-60 (1998)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2MP51GP
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4988
PNG
((3R,4R,5S)-4-Acetamido-5-amino-3-(octyloxy)-1-cycl...)
Show SMILES CCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C17H30N2O4/c1-3-4-5-6-7-8-9-23-15-11-13(17(21)22)10-14(18)16(15)19-12(2)20/h11,14-16H,3-10,18H2,1-2H3,(H,19,20)(H,21,22)/t14-,15+,16+/m0/s1
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n/an/a 3.50E+3n/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...


J Med Chem 41: 2451-60 (1998)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2MP51GP
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM4992
PNG
((3R,4R,5S)-5-amino-3-[(2R)-butan-2-yloxy]-4-acetam...)
Show SMILES CC[C@@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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-/m1/s1
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n/an/a 7n/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...


J Med Chem 41: 2451-60 (1998)


Article DOI: 10.1021/jm980162u
BindingDB Entry DOI: 10.7270/Q2MP51GP
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5017
PNG
((1R,3R,4S)-3-(Acetylamino-methyl)-4-guanidino-cycl...)
Show SMILES CC(=O)NC[C@H]1C[C@H](C[C@@H]1N=C(N)N)C(O)=O
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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n/an/a 2.67E+4n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5018
PNG
((3R*,4R*)-3-[1-(Acetylamino)pentyl]-4-{[amino(imin...)
Show SMILES CCCCC(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9?,10-,11?,12+/m0/s1
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n/an/a 893n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5019
PNG
((3R*,4R*)-3-[(1S*)-1-(Acetylamino)pentyl]-4-{[amin...)
Show SMILES CCCC[C@H](NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9?,10-,11-,12+/m0/s1
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n/an/a 43n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5020
PNG
((1S,3R,4R)-3-carbamimidamido-4-[(1S)-1-acetamidope...)
Show SMILES CCCC[C@H](NC(C)=O)[C@@H]1C[C@@H](C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9-,10-,11-,12+/m0/s1
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n/an/a 5.29E+3n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5021
PNG
((1R,3R,4R)-3-carbamimidamido-4-[(1S)-1-acetamidope...)
Show SMILES CCCC[C@H](NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9-,10+,11+,12-/m1/s1
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n/an/a 412n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5022
PNG
((1R*,3R*,4R*)-3-[(1R*)-1-(Acetylamino)pentyl]-4-{[...)
Show SMILES CCCC[C@@H](NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H26N4O3/c1-3-4-5-11(17-8(2)19)10-6-9(13(20)21)7-12(10)18-14(15)16/h9-12H,3-7H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t9-,10+,11-,12-/m1/s1
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n/an/a 3.00E+5n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5023
PNG
((-)-(1R,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbuty...)
Show SMILES CCC(CC)[C@H](NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H28N4O3/c1-4-9(5-2)13(18-8(3)20)11-6-10(14(21)22)7-12(11)19-15(16)17/h9-13H,4-7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t10-,11-,12-,13+/m1/s1
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n/an/a 2n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
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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n/an/a 5n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
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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n/an/a 17n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Victoria/70))
BDBM5025
PNG
(Oseltamivir | ethyl (3R,4R,5S)-5-amino-4-acetamido...)
Show SMILES CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
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 5n/an/an/an/a6.537



BioCryst Pharmaceuticals, Inc.



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


J Med Chem 44: 4379-92 (2001)


Article DOI: 10.1021/jm010277p
BindingDB Entry DOI: 10.7270/Q2GX48RZ
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5248
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-{[(3R)-1-hydroxyp...)
Show SMILES CC[C@H](CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H24N2O5/c1-3-10(4-5-17)21-12-7-9(14(19)20)6-11(15)13(12)16-8(2)18/h7,10-13,17H,3-6,15H2,1-2H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1
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n/an/a 85n/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 9: 2811-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00479-5
BindingDB Entry DOI: 10.7270/Q26H4FMM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Lee/40))
BDBM5225
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-[methyl(propyl)am...)
Show SMILES CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C13H23N3O3/c1-4-5-16(3)11-7-9(13(18)19)6-10(14)12(11)15-8(2)17/h7,10-12H,4-6,14H2,1-3H3,(H,15,17)(H,18,19)/t10-,11+,12+/m0/s1
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n/an/a 65n/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 8: 3321-4 (1998)


Article DOI: 10.1016/s0960-894x(98)00587-3
BindingDB Entry DOI: 10.7270/Q2B56GXM
More data for this
Ligand-Target Pair
Neuraminidase B


(Influenza B virus (B/Memphis/3/93))
BDBM5200
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-12(17-9(3)20)14-10(11-4-5-16-19-11)7-13(18-14)15(21)22/h4-5,8,10,12-14,18H,6-7H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t10-,12-,13+,14+/m0/s1
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57 -40.9n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5195
PNG
((+/-)-(2R,4R,5S,1 S)-5-(1 -Acetylamino-3 -methylbu...)
Show SMILES COC(=O)[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H24N2O5/c1-7(2)5-10(15-8(3)17)12-9(14(20)21-4)6-11(16-12)13(18)19/h7,9-12,16H,5-6H2,1-4H3,(H,15,17)(H,18,19)/t9-,10+,11-,12-/m1/s1
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150 -38.6n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5198
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1nccs1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-8(2)6-11(17-9(3)19)13-10(14-16-4-5-22-14)7-12(18-13)15(20)21/h4-5,8,10-13,18H,6-7H2,1-3H3,(H,17,19)(H,20,21)/t10-,11+,12-,13-/m1/s1
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370 -36.3n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5197
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1cscn1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-8(2)4-11(17-9(3)19)14-10(13-6-22-7-16-13)5-12(18-14)15(20)21/h6-8,10-12,14,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-,12+,14+/m0/s1
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490 -35.7n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5196
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-8(2)4-11(18-9(3)20)14-10(13-6-16-7-17-13)5-12(19-14)15(21)22/h6-8,10-12,14,19H,4-5H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11-,12+,14+/m0/s1
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610 -35.1n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5199
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methylbu...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-8(2)6-11(18-9(3)20)13-10(14-16-4-5-17-14)7-12(19-13)15(21)22/h4-5,8,10-13,19H,6-7H2,1-3H3,(H,16,17)(H,18,20)(H,21,22)/t10-,11+,12-,13-/m1/s1
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830 -34.4n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5194
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1N)C(O)=O
Show InChI InChI=1S/C12H23N3O3/c1-6(2)4-9(14-7(3)16)11-8(13)5-10(15-11)12(17)18/h6,8-11,15H,4-5,13H2,1-3H3,(H,14,16)(H,17,18)/t8-,9+,10-,11-/m1/s1
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1.56E+3 -32.8n/an/an/an/an/a7.522



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/Memphis/3/93))
BDBM5192
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CCC(=O)[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O4/c1-5-13(19)10-7-12(15(20)21)17-14(10)11(6-8(2)3)16-9(4)18/h8,10-12,14,17H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-,11-,12+,14+/m0/s1
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6.67E+3 -29.2n/an/an/an/an/a7.522



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
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