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Compile Data Set for Download or QSAR

Found 82 hits Enz. Inhib. hit(s) 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/Memphis/3/93))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
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30n/an/an/an/an/an/an/an/a



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))
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))
BDBM5207
PNG
((+/-)-(2R,4S,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]1\C=C/Cl)C(O)=O
Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1
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130n/an/an/an/an/an/an/an/a



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))
BDBM5202
PNG
((+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES C\C=C/[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H26N2O3/c1-5-6-11-8-13(15(19)20)17-14(11)12(7-9(2)3)16-10(4)18/h5-6,9,11-14,17H,7-8H2,1-4H3,(H,16,18)(H,19,20)/b6-5-/t11-,12+,13-,14-/m1/s1
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220n/an/an/an/an/an/an/an/a



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))
BDBM5201
PNG
((2R,4R,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-(1...)
Show SMILES CC(C)C[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1c1ccon1)C(O)=O
Show InChI InChI=1S/C15H23N3O4/c1-8(2)6-12(16-9(3)19)14-10(11-4-5-22-18-11)7-13(17-14)15(20)21/h4-5,8,10,12-14,17H,6-7H2,1-3H3,(H,16,19)(H,20,21)/t10-,12-,13+,14+/m0/s1
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240n/an/an/an/an/an/an/an/a



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))
BDBM5205
PNG
((+/-)-(2R,4S,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]1C=C(C)C)C(O)=O
Show InChI InChI=1S/C16H28N2O3/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21)/t12-,13+,14-,15-/m1/s1
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340n/an/an/an/an/an/an/an/a



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))
BDBM5203
PNG
((+/-)-(2R,4S,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]1C=C)C(O)=O
Show InChI InChI=1S/C14H24N2O3/c1-5-10-7-12(14(18)19)16-13(10)11(6-8(2)3)15-9(4)17/h5,8,10-13,16H,1,6-7H2,2-4H3,(H,15,17)(H,18,19)/t10-,11+,12-,13-/m1/s1
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470n/an/an/an/an/an/an/an/a



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))
BDBM5206
PNG
((+/-)-(2R,4S,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]1C=C(F)F)C(O)=O
Show InChI InChI=1S/C14H22F2N2O3/c1-7(2)4-10(17-8(3)19)13-9(6-12(15)16)5-11(18-13)14(20)21/h6-7,9-11,13,18H,4-5H2,1-3H3,(H,17,19)(H,20,21)/t9-,10-,11+,13+/m0/s1
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660n/an/an/an/an/an/an/an/a



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))
BDBM5207
PNG
((+/-)-(2R,4S,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]1\C=C/Cl)C(O)=O
Show InChI InChI=1S/C14H23ClN2O3/c1-8(2)6-11(16-9(3)18)13-10(4-5-15)7-12(17-13)14(19)20/h4-5,8,10-13,17H,6-7H2,1-3H3,(H,16,18)(H,19,20)/b5-4-/t10-,11+,12-,13-/m1/s1
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4.60E+3n/an/an/an/an/an/an/an/a



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
Neuraminidase B


(Influenza B virus (B/Memphis/3/93))
BDBM5190
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CCOC(=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/C15H26N2O5/c1-5-22-15(21)10-7-12(14(19)20)17-13(10)11(6-8(2)3)16-9(4)18/h8,10-13,17H,5-7H2,1-4H3,(H,16,18)(H,19,20)/t10-,11+,12-,13-/m1/s1
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1.24E+4 -27.7n/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))
BDBM5191
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES COC[C@@H]1C[C@@H](N[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H26N2O4/c1-8(2)5-11(15-9(3)17)13-10(7-20-4)6-12(16-13)14(18)19/h8,10-13,16H,5-7H2,1-4H3,(H,15,17)(H,18,19)/t10-,11-,12+,13+/m0/s1
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1.51E+4 -27.2n/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
Neuraminidase B


(Influenza B virus (B/Memphis/3/93))
BDBM5193
PNG
((+/-)-(2R,4R,5R,1 S)-5-(1 -Acetylamino-3 -methyl-b...)
Show SMILES CNC(=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/C14H25N3O4/c1-7(2)5-10(16-8(3)18)12-9(13(19)15-4)6-11(17-12)14(20)21/h7,9-12,17H,5-6H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)/t9-,10+,11-,12-/m1/s1
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>4.00E+4>-24.8n/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 (NanB)


(Streptococcus pneumoniae)
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
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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3.30E+5n/an/an/an/an/an/a9.0n/a



UniversitÓ degli Studi di Siena



Assay Description
Briefly, the reaction mixtures containing the substrates and up to 100 nM sialidase were incubated at 37░C and stopped by the addition of 0.5 M Na2CO...


BMC Biochem 13: 19 (2012)


Article DOI: 10.1186/1471-2091-13-19
BindingDB Entry DOI: 10.7270/Q2959GDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
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/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))
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/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))
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)
BDBM4937
PNG
((2R,3R,4S)-4-amino-2-(diethylcarbamoyl)-3-acetamid...)
Show SMILES CCN(CC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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 360n/an/an/an/an/an/a



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)
BDBM4941
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)car...)
Show SMILES CCCN(CC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H23N3O5/c1-4-6-17(5-2)13(19)12-11(16-8(3)18)9(15)7-10(22-12)14(20)21/h7,9,11-12H,4-6,15H2,1-3H3,(H,16,18)(H,20,21)/t9-,11+,12+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



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 (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)
BDBM4942
PNG
((2R,3R,4S)-4-carbamimidamido-2-(diethylcarbamoyl)-...)
Show SMILES CCN(CC)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/c1-4-19(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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n/an/a 490n/an/an/an/an/an/a



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)
BDBM4940
PNG
((2R,3R,4S)-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+/m0/s1
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n/an/a 540n/an/an/an/an/an/a



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)
BDBM4946
PNG
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[(2-phe...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C21H29N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18H,3,9-11H2,1-2H3,(H,24,27)(H,29,30)(H4,22,23,25)/t15-,17+,18+/m0/s1
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n/an/a 840n/an/an/an/an/an/a



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 (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)
BDBM4943
PNG
((2R,3R,4S)-4-amino-2-[butyl(propyl)carbamoyl]-3-ac...)
Show SMILES CCCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C16H27N3O5/c1-4-6-8-19(7-5-2)15(21)14-13(18-10(3)20)11(17)9-12(24-14)16(22)23/h9,11,13-14H,4-8,17H2,1-3H3,(H,18,20)(H,22,23)/t11-,13+,14+/m0/s1
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n/an/a 950n/an/an/an/an/an/a



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)
BDBM4967
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-phenylphen...)
Show SMILES CCCN(CCc1ccc(cc1)-c1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C26H31N3O5/c1-3-14-29(15-13-18-9-11-20(12-10-18)19-7-5-4-6-8-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-12,16,21,23-24H,3,13-15,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



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)
BDBM4964
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-hydroxyphe...)
Show SMILES CCCN(CCc1ccc(O)cc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O6/c1-3-9-23(10-8-13-4-6-14(25)7-5-13)19(26)18-17(22-12(2)24)15(21)11-16(29-18)20(27)28/h4-7,11,15,17-18,25H,3,8-10,21H2,1-2H3,(H,22,24)(H,27,28)/t15-,17+,18+/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



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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PubMed
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)
BDBM4966
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-hydroxyphe...)
Show SMILES CCCN(CCc1cccc(O)c1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O6/c1-3-8-23(9-7-13-5-4-6-14(25)10-13)19(26)18-17(22-12(2)24)15(21)11-16(29-18)20(27)28/h4-6,10-11,15,17-18,25H,3,7-9,21H2,1-2H3,(H,22,24)(H,27,28)/t15-,17+,18+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



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)
BDBM4935
PNG
((2R,3R,4S)-4-amino-2-[(2,5-dimethylpyrrolidin-1-yl...)
Show SMILES CC1CCC(C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H23N3O5/c1-7-4-5-8(2)18(7)14(20)13-12(17-9(3)19)10(16)6-11(23-13)15(21)22/h6-8,10,12-13H,4-5,16H2,1-3H3,(H,17,19)(H,21,22)/t7?,8?,10-,12+,13+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



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)
BDBM4949
PNG
((2R,3R,4S)-4-carbamimidamido-3-acetamido-2-[nonyl(...)
Show SMILES CCCCCCCCCN(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/C22H39N5O5/c1-4-6-7-8-9-10-11-13-27(12-5-2)20(29)19-18(25-15(3)28)16(26-22(23)24)14-17(32-19)21(30)31/h14,16,18-19H,4-13H2,1-3H3,(H,25,28)(H,30,31)(H4,23,24,26)/t16-,18+,19+/m0/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



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)
BDBM4965
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-methoxyphe...)
Show SMILES CCCN(CCc1cccc(OC)c1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-4-9-24(10-8-14-6-5-7-15(11-14)29-3)20(26)19-18(23-13(2)25)16(22)12-17(30-19)21(27)28/h5-7,11-12,16,18-19H,4,8-10,22H2,1-3H3,(H,23,25)(H,27,28)/t16-,18+,19+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



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)
BDBM4963
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(4-methoxyphe...)
Show SMILES CCCN(CCc1ccc(OC)cc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C21H29N3O6/c1-4-10-24(11-9-14-5-7-15(29-3)8-6-14)20(26)19-18(23-13(2)25)16(22)12-17(30-19)21(27)28/h5-8,12,16,18-19H,4,9-11,22H2,1-3H3,(H,23,25)(H,27,28)/t16-,18+,19+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



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)
BDBM4945
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



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)
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)
BDBM4972
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-{[2-(3-phenylphen...)
Show SMILES CCCN(CCc1cccc(c1)-c1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C26H31N3O5/c1-3-13-29(14-12-18-8-7-11-20(15-18)19-9-5-4-6-10-19)25(31)24-23(28-17(2)30)21(27)16-22(34-24)26(32)33/h4-11,15-16,21,23-24H,3,12-14,27H2,1-2H3,(H,28,30)(H,32,33)/t21-,23+,24+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



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)
BDBM4976
PNG
((2R,3R,4S)-4-amino-2-{[(2R,5R)-2,5-dimethylpyrroli...)
Show SMILES C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C15H23N3O5/c1-7-4-5-8(2)18(7)14(20)13-12(17-9(3)19)10(16)6-11(23-13)15(21)22/h6-8,10,12-13H,4-5,16H2,1-3H3,(H,17,19)(H,21,22)/t7-,8-,10+,12-,13-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



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)
BDBM4970
PNG
((2R,3R,4S)-4-amino-2-{[2-(4-benzylphenyl)ethyl](pr...)
Show SMILES CCCN(CCc1ccc(Cc2ccccc2)cc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H33N3O5/c1-3-14-30(15-13-19-9-11-21(12-10-19)16-20-7-5-4-6-8-20)26(32)25-24(29-18(2)31)22(28)17-23(35-25)27(33)34/h4-12,17,22,24-25H,3,13-16,28H2,1-2H3,(H,29,31)(H,33,34)/t22-,24+,25+/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



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 (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)
BDBM4969
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-({2-[4-(propan-2-...)
Show SMILES CCCN(CCc1ccc(cc1)C(C)C)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C23H33N3O5/c1-5-11-26(12-10-16-6-8-17(9-7-16)14(2)3)22(28)21-20(25-15(4)27)18(24)13-19(31-21)23(29)30/h6-9,13-14,18,20-21H,5,10-12,24H2,1-4H3,(H,25,27)(H,29,30)/t18-,20+,21+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



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)
BDBM4959
PNG
((2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)(...)
Show SMILES CC(C)N(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C20H27N3O5/c1-12(2)23(10-9-14-7-5-4-6-8-14)19(25)18-17(22-13(3)24)15(21)11-16(28-18)20(26)27/h4-8,11-12,15,17-18H,9-10,21H2,1-3H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



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
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