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Compile Data Set for Download or QSAR

Found 85 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase A' AND taxid = 384509   
Target
(Institution)
LigandTarget
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 A


(Influenza A virus (N9))
BDBM4758
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O4/c1-4-20(5-2)13(22)12(18-8(3)21)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,4-7H2,1-3H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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PubMed
n/an/a 15n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4775
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(m...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H25N5O5/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 40n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4764
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-(dipropylcarbamoy...)
Show SMILES CCCN(CCC)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N5O4/c1-4-6-22(7-5-2)15(24)14(20-10(3)23)12-8-11(16(25)26)9-13(12)21-17(18)19/h11-14H,4-9H2,1-3H3,(H,20,23)(H,25,26)(H4,18,19,21)/t11?,12-,13-,14?/m0/s1
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n/an/a 60n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4743
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(pentan-...)
Show SMILES CCC(CC)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C16H29N5O4/c1-4-10(5-2)20-14(23)13(19-8(3)22)11-6-9(15(24)25)7-12(11)21-16(17)18/h9-13H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)(H4,17,18,21)/t9?,11-,12-,13?/m0/s1
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n/an/a 80n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4759
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[ethyl(p...)
Show SMILES CCCN(CC)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C16H29N5O4/c1-4-6-21(5-2)14(23)13(19-9(3)22)11-7-10(15(24)25)8-12(11)20-16(17)18/h10-13H,4-8H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10?,11-,12-,13?/m0/s1
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n/an/a 130n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4767
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H27N5O4/c1-9(22)19-13(14(23)21-5-3-2-4-6-21)11-7-10(15(24)25)8-12(11)20-16(17)18/h10-13H,2-8H2,1H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10?,11-,12-,13?/m0/s1
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n/an/a 150n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4771
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES CCCC1CCCCN1C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C19H33N5O4/c1-3-6-13-7-4-5-8-24(13)17(26)16(22-11(2)25)14-9-12(18(27)28)10-15(14)23-19(20)21/h12-16H,3-10H2,1-2H3,(H,22,25)(H,27,28)(H4,20,21,23)/t12?,13?,14-,15-,16?/m0/s1
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n/an/a 150n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4770
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(2...)
Show SMILES CCC1CCCCN1C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C18H31N5O4/c1-3-12-6-4-5-7-23(12)16(25)15(21-10(2)24)13-8-11(17(26)27)9-14(13)22-18(19)20/h11-15H,3-9H2,1-2H3,(H,21,24)(H,26,27)(H4,19,20,22)/t11?,12?,13-,14-,15?/m0/s1
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n/an/a 180n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4763
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-[(cyclopropylmeth...)
Show SMILES CCCN(CC1CC1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C18H31N5O4/c1-3-6-23(9-11-4-5-11)16(25)15(21-10(2)24)13-7-12(17(26)27)8-14(13)22-18(19)20/h11-15H,3-9H2,1-2H3,(H,21,24)(H,26,27)(H4,19,20,22)/t12?,13-,14-,15?/m0/s1
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n/an/a 200n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4749
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(4-phen...)
Show SMILES CC(CCc1ccccc1)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C21H31N5O4/c1-12(8-9-14-6-4-3-5-7-14)24-19(28)18(25-13(2)27)16-10-15(20(29)30)11-17(16)26-21(22)23/h3-7,12,15-18H,8-11H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)(H4,22,23,26)/t12?,15?,16-,17-,18?/m0/s1
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n/an/a 230n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4776
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCSCC1
Show InChI InChI=1S/C15H25N5O4S/c1-8(21)18-12(13(22)20-2-4-25-5-3-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 230n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4769
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(2...)
Show SMILES CC1CCCCN1C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H29N5O4/c1-9-5-3-4-6-22(9)15(24)14(20-10(2)23)12-7-11(16(25)26)8-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t9?,11?,12-,13-,14?/m0/s1
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n/an/a 240n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4738
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(ethylca...)
Show SMILES CCNC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C13H23N5O4/c1-3-16-11(20)10(17-6(2)19)8-4-7(12(21)22)5-9(8)18-13(14)15/h7-10H,3-5H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)(H4,14,15,18)/t7?,8-,9-,10?/m0/s1
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n/an/a 330n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4742
PNG
((3S,4S)-3-[(S)-(butan-2-ylcarbamoyl)(acetamido)met...)
Show SMILES CCC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O4/c1-4-7(2)18-13(22)12(19-8(3)21)10-5-9(14(23)24)6-11(10)20-15(16)17/h7,9-12H,4-6H2,1-3H3,(H,18,22)(H,19,21)(H,23,24)(H4,16,17,20)/t7?,9?,10-,11-,12?/m0/s1
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n/an/a 410n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4760
PNG
((3S,4S)-3-[(S)-[butyl(ethyl)carbamoyl](acetamido)m...)
Show SMILES CCCCN(CC)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N5O4/c1-4-6-7-22(5-2)15(24)14(20-10(3)23)12-8-11(16(25)26)9-13(12)21-17(18)19/h11-14H,4-9H2,1-3H3,(H,20,23)(H,25,26)(H4,18,19,21)/t11?,12-,13-,14?/m0/s1
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n/an/a 430n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4766
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCCC1
Show InChI InChI=1S/C15H25N5O4/c1-8(21)18-12(13(22)20-4-2-3-5-20)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,2-7H2,1H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 470n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4754
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[methyl(...)
Show SMILES CN(CC=C)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H25N5O4/c1-4-5-20(3)13(22)12(18-8(2)21)10-6-9(14(23)24)7-11(10)19-15(16)17/h4,9-12H,1,5-7H2,2-3H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 650n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4761
PNG
((3S,4S)-3-[(S)-[benzyl(ethyl)carbamoyl](acetamido)...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C20H29N5O4/c1-3-25(11-13-7-5-4-6-8-13)18(27)17(23-12(2)26)15-9-14(19(28)29)10-16(15)24-20(21)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t14?,15-,16-,17?/m0/s1
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n/an/a 670n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4740
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(prop-2-...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)NCC=C
Show InChI InChI=1S/C14H23N5O4/c1-3-4-17-12(21)11(18-7(2)20)9-5-8(13(22)23)6-10(9)19-14(15)16/h3,8-11H,1,4-6H2,2H3,(H,17,21)(H,18,20)(H,22,23)(H4,15,16,19)/t8?,9-,10-,11?/m0/s1
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n/an/a 720n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4762
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[ethyl(2...)
Show SMILES CCN(CCO)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O5/c1-3-20(4-5-21)13(23)12(18-8(2)22)10-6-9(14(24)25)7-11(10)19-15(16)17/h9-12,21H,3-7H2,1-2H3,(H,18,22)(H,24,25)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 720n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4765
PNG
((3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-ox...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCC1
Show InChI InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1
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n/an/a 920n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4752
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[methyl(...)
Show SMILES CCCN(C)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O4/c1-4-5-20(3)13(22)12(18-8(2)21)10-6-9(14(23)24)7-11(10)19-15(16)17/h9-12H,4-7H2,1-3H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 940n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4768
PNG
((3S,4S)-3-[(1S)-2-(azepan-1-yl)-1-acetamido-2-oxoe...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)N1CCCCCC1
Show InChI InChI=1S/C17H29N5O4/c1-10(23)20-14(15(24)22-6-4-2-3-5-7-22)12-8-11(16(25)26)9-13(12)21-17(18)19/h11-14H,2-9H2,1H3,(H,20,23)(H,25,26)(H4,18,19,21)/t11?,12-,13-,14?/m0/s1
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n/an/a 990n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4739
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(propan-...)
Show SMILES CC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C14H25N5O4/c1-6(2)17-12(21)11(18-7(3)20)9-4-8(13(22)23)5-10(9)19-14(15)16/h6,8-11H,4-5H2,1-3H3,(H,17,21)(H,18,20)(H,22,23)(H4,15,16,19)/t8?,9-,10-,11?/m0/s1
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n/an/a 1.34E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4747
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(heptan-...)
Show SMILES CCCCC(CC)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C18H33N5O4/c1-4-6-7-12(5-2)22-16(25)15(21-10(3)24)13-8-11(17(26)27)9-14(13)23-18(19)20/h11-15H,4-9H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)(H4,19,20,23)/t11?,12?,13-,14-,15?/m0/s1
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n/an/a 1.80E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4751
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(1-meth...)
Show SMILES CCC(COC)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C16H29N5O5/c1-4-10(7-26-3)20-14(23)13(19-8(2)22)11-5-9(15(24)25)6-12(11)21-16(17)18/h9-13H,4-7H2,1-3H3,(H,19,22)(H,20,23)(H,24,25)(H4,17,18,21)/t9?,10?,11-,12-,13?/m0/s1
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n/an/a 2.20E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4755
PNG
((3S,4S)-3-[(S)-[butyl(methyl)carbamoyl](acetamido)...)
Show SMILES CCCCN(C)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C16H29N5O4/c1-4-5-6-21(3)14(23)13(19-9(2)22)11-7-10(15(24)25)8-12(11)20-16(17)18/h10-13H,4-8H2,1-3H3,(H,19,22)(H,24,25)(H4,17,18,20)/t10?,11-,12-,13?/m0/s1
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n/an/a 2.40E+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...


Citation and Details
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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n/an/a 2.50E+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...


Citation and Details
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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n/an/a 2.50E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4772
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(3...)
Show SMILES CC1CCCN(C1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H29N5O4/c1-9-4-3-5-22(8-9)15(24)14(20-10(2)23)12-6-11(16(25)26)7-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t9?,11?,12-,13-,14?/m0/s1
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n/an/a 2.55E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4724
PNG
(3,5-dicarbamimidamido-4-(pentan-3-yloxy)benzoic ac...)
Show SMILES CCC(CC)Oc1c(cc(cc1N=C(N)N)C(O)=O)N=C(N)N
Show InChI InChI=1S/C14H22N6O3/c1-3-8(4-2)23-11-9(19-13(15)16)5-7(12(21)22)6-10(11)20-14(17)18/h5-6,8H,3-4H2,1-2H3,(H,21,22)(H4,15,16,19)(H4,17,18,20)
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n/an/a 3.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
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 3.00E+3n/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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4744
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(pentan-...)
Show SMILES CCCC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C16H29N5O4/c1-4-5-8(2)19-14(23)13(20-9(3)22)11-6-10(15(24)25)7-12(11)21-16(17)18/h8,10-13H,4-7H2,1-3H3,(H,19,23)(H,20,22)(H,24,25)(H4,17,18,21)/t8?,10?,11-,12-,13?/m0/s1
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n/an/a 3.20E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4753
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[methyl(...)
Show SMILES CC(C)N(C)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O4/c1-7(2)20(4)13(22)12(18-8(3)21)10-5-9(14(23)24)6-11(10)19-15(16)17/h7,9-12H,5-6H2,1-4H3,(H,18,21)(H,23,24)(H4,16,17,19)/t9?,10-,11-,12?/m0/s1
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n/an/a 3.21E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4774
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-2-(3,5-dimethylp...)
Show SMILES CC1CC(C)CN(C1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C18H31N5O4/c1-9-4-10(2)8-23(7-9)16(25)15(21-11(3)24)13-5-12(17(26)27)6-14(13)22-18(19)20/h9-10,12-15H,4-8H2,1-3H3,(H,21,24)(H,26,27)(H4,19,20,22)/t9?,10?,12?,13-,14-,15?/m0/s1
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n/an/a 3.50E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4737
PNG
(4-amino-6-carbamimidamido-5-acetamidopyridine-2-ca...)
Show SMILES CC(=O)Nc1c(N)cc(nc1N=C(N)N)C(O)=O
Show InChI InChI=1S/C9H12N6O3/c1-3(16)13-6-4(10)2-5(8(17)18)14-7(6)15-9(11)12/h2H,1H3,(H,13,16)(H,17,18)(H6,10,11,12,14,15)
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n/an/a 4.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4750
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(1-meth...)
Show SMILES COCC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O5/c1-7(6-25-3)18-13(22)12(19-8(2)21)10-4-9(14(23)24)5-11(10)20-15(16)17/h7,9-12H,4-6H2,1-3H3,(H,18,22)(H,19,21)(H,23,24)(H4,16,17,20)/t7?,9?,10-,11-,12?/m0/s1
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n/an/a 4.40E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4713
PNG
(3-[(Aminoiminomethyl)amino]-4-[(methylamino)carbon...)
Show SMILES CNC(=O)c1ccc(cc1N=C(N)N)C(O)=O
Show InChI InChI=1S/C10H12N4O3/c1-13-8(15)6-3-2-5(9(16)17)4-7(6)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
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n/an/a 5.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4734
PNG
(5-Acetylamino-6-[(aminoiminomethyl)amino]pyridine-...)
Show SMILES CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O
Show InChI InChI=1S/C9H11N5O3/c1-4(15)12-5-2-3-6(8(16)17)13-7(5)14-9(10)11/h2-3H,1H3,(H,12,15)(H,16,17)(H4,10,11,13,14)
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n/an/a 6.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4748
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(2-phen...)
Show SMILES CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C19H27N5O4/c1-11(25)23-16(17(26)22-8-7-12-5-3-2-4-6-12)14-9-13(18(27)28)10-15(14)24-19(20)21/h2-6,13-16H,7-10H2,1H3,(H,22,26)(H,23,25)(H,27,28)(H4,20,21,24)/t13?,14-,15-,16?/m0/s1
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n/an/a 6.40E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4757
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[methyl(...)
Show SMILES CN(CCc1ccccc1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C20H29N5O4/c1-12(26)23-17(15-10-14(19(28)29)11-16(15)24-20(21)22)18(27)25(2)9-8-13-6-4-3-5-7-13/h3-7,14-17H,8-11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t14?,15-,16-,17?/m0/s1
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n/an/a 8.00E+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...


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More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4773
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-(4...)
Show SMILES CC1CCN(CC1)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H29N5O4/c1-9-3-5-22(6-4-9)15(24)14(20-10(2)23)12-7-11(16(25)26)8-13(12)21-17(18)19/h9,11-14H,3-8H2,1-2H3,(H,20,23)(H,25,26)(H4,18,19,21)/t11?,12-,13-,14?/m0/s1
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n/an/a 8.20E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4745
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[(4-meth...)
Show SMILES CC(C)CC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N5O4/c1-8(2)5-9(3)20-15(24)14(21-10(4)23)12-6-11(16(25)26)7-13(12)22-17(18)19/h8-9,11-14H,5-7H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)(H4,18,19,22)/t9?,11?,12-,13-,14?/m0/s1
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n/an/a 8.40E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4746
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido(hexan-2...)
Show SMILES CCCCC(C)NC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C17H31N5O4/c1-4-5-6-9(2)20-15(24)14(21-10(3)23)12-7-11(16(25)26)8-13(12)22-17(18)19/h9,11-14H,4-8H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)(H4,18,19,22)/t9?,11?,12-,13-,14?/m0/s1
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n/an/a 8.70E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4714
PNG
(3-[(Aminoiminomethyl)amino]-4-(aminosulfonyl)benzo...)
Show SMILES NC(N)=Nc1cc(ccc1S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C8H10N4O4S/c9-8(10)12-5-3-4(7(13)14)1-2-6(5)17(11,15)16/h1-3H,(H,13,14)(H4,9,10,12)(H2,11,15,16)
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n/an/a 9.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4741
PNG
((3S,4S)-3-[(S)-(butylcarbamoyl)(acetamido)methyl]-...)
Show SMILES CCCCNC(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C15H27N5O4/c1-3-4-5-18-13(22)12(19-8(2)21)10-6-9(14(23)24)7-11(10)20-15(16)17/h9-12H,3-7H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)(H4,16,17,20)/t9?,10-,11-,12?/m0/s1
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n/an/a 9.90E+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...


Citation and Details
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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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...


Citation and Details
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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n/an/a 1.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
BDBM4756
PNG
((3S,4S)-3-carbamimidamido-4-[(S)-acetamido[hexyl(m...)
Show SMILES CCCCCCN(C)C(=O)C(NC(C)=O)[C@H]1CC(C[C@@H]1N=C(N)N)C(O)=O
Show InChI InChI=1S/C18H33N5O4/c1-4-5-6-7-8-23(3)16(25)15(21-11(2)24)13-9-12(17(26)27)10-14(13)22-18(19)20/h12-15H,4-10H2,1-3H3,(H,21,24)(H,26,27)(H4,19,20,22)/t12?,13-,14-,15?/m0/s1
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n/an/a 1.24E+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...


Citation and Details
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (N9))
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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n/an/a 1.30E+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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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