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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50009548   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50028503
PNG
(CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50028503
PNG
(CHEMBL81717 | Guanidino-Oseltamivir Carboxylicacid)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Show InChI InChI=1S/C15H26N4O4/c1-4-10(5-2)23-12-7-9(14(21)22)6-11(19-15(16)17)13(12)18-8(3)20/h7,10-13H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529805
PNG
(CHEMBL4562671)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
Show InChI InChI=1S/C14H26N4O5S/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H,20,21,22)/t11-,12+,13+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529805
PNG
(CHEMBL4562671)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
Show InChI InChI=1S/C14H26N4O5S/c1-4-9(5-2)23-12-7-10(24(20,21)22)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H4,15,16,18)(H,20,21,22)/t11-,12+,13+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		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 |r,c:7|
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 1.80n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529806
PNG
(CHEMBL4440605)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
Show InChI InChI=1S/C13H24N2O5S/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18,19)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		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 |r,c:7|
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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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529806
PNG
(CHEMBL4440605)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(O)(=O)=O |r,c:7|
Show InChI InChI=1S/C13H24N2O5S/c1-4-9(5-2)20-12-7-10(21(17,18)19)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18,19)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529798
PNG
(CHEMBL4521226)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C23H36N4O5S/c1-4-18(5-2)32-21-15-19(14-20(27-23(24)25)22(21)26-16(3)28)33(29,30)31-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14H2,1-3H3,(H,26,28)(H4,24,25,27)/t20-,21+,22+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529798
PNG
(CHEMBL4521226)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C23H36N4O5S/c1-4-18(5-2)32-21-15-19(14-20(27-23(24)25)22(21)26-16(3)28)33(29,30)31-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14H2,1-3H3,(H,26,28)(H4,24,25,27)/t20-,21+,22+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529794
PNG
(CHEMBL4547504)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
Show InChI InChI=1S/C14H26N4O4S/c1-4-9(5-2)22-12-7-10(23(20)21)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H,20,21)(H4,15,16,18)/t11-,12+,13+/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529794
PNG
(CHEMBL4547504)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
Show InChI InChI=1S/C14H26N4O4S/c1-4-9(5-2)22-12-7-10(23(20)21)6-11(18-14(15)16)13(12)17-8(3)19/h7,9,11-13H,4-6H2,1-3H3,(H,17,19)(H,20,21)(H4,15,16,18)/t11-,12+,13+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529801
PNG
(CHEMBL4470276)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
Show InChI InChI=1S/C15H28N4O4S/c1-5-10(6-2)23-13-8-11(24(4,21)22)7-12(19-15(16)17)14(13)18-9(3)20/h8,10,12-14H,5-7H2,1-4H3,(H,18,20)(H4,16,17,19)/t12-,13+,14+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529801
PNG
(CHEMBL4470276)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
Show InChI InChI=1S/C15H28N4O4S/c1-5-10(6-2)23-13-8-11(24(4,21)22)7-12(19-15(16)17)14(13)18-9(3)20/h8,10,12-14H,5-7H2,1-4H3,(H,18,20)(H4,16,17,19)/t12-,13+,14+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529797
PNG
(CHEMBL4462409)
Show SMILES CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
Show InChI InChI=1S/C18H34N4O5S/c1-5-8-9-26-28(24,25)14-10-15(22-18(19)20)17(21-12(4)23)16(11-14)27-13(6-2)7-3/h11,13,15-17H,5-10H2,1-4H3,(H,21,23)(H4,19,20,22)/t15-,16+,17+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529797
PNG
(CHEMBL4462409)
Show SMILES CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NC(N)=N |r,t:8|
Show InChI InChI=1S/C18H34N4O5S/c1-5-8-9-26-28(24,25)14-10-15(22-18(19)20)17(21-12(4)23)16(11-14)27-13(6-2)7-3/h11,13,15-17H,5-10H2,1-4H3,(H,21,23)(H4,19,20,22)/t15-,16+,17+/m0/s1
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National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529802
PNG
(CHEMBL4536771)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
Show InChI InChI=1S/C21H33N5O4S/c1-4-16(5-2)30-19-13-17(12-18(26-21(22)23)20(19)25-14(3)27)31(28,29)11-8-15-6-9-24-10-7-15/h6-7,9-10,13,16,18-20H,4-5,8,11-12H2,1-3H3,(H,25,27)(H4,22,23,26)/t18-,19+,20+/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529802
PNG
(CHEMBL4536771)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
Show InChI InChI=1S/C21H33N5O4S/c1-4-16(5-2)30-19-13-17(12-18(26-21(22)23)20(19)25-14(3)27)31(28,29)11-8-15-6-9-24-10-7-15/h6-7,9-10,13,16,18-20H,4-5,8,11-12H2,1-3H3,(H,25,27)(H4,22,23,26)/t18-,19+,20+/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529796
PNG
(CHEMBL4450708)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
Show InChI InChI=1S/C14H25BF3N4O2.K/c1-4-10(5-2)24-12-7-9(15(16,17)18)6-11(22-14(19)20)13(12)21-8(3)23;/h7,10-13H,4-6H2,1-3H3,(H,21,23)(H4,19,20,22);/q-1;+1/t11-,12+,13+;/m0./s1
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n/an/a 20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529796
PNG
(CHEMBL4450708)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7]-[#6](-[#7])=[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
Show InChI InChI=1S/C14H25BF3N4O2.K/c1-4-10(5-2)24-12-7-9(15(16,17)18)6-11(22-14(19)20)13(12)21-8(3)23;/h7,10-13H,4-6H2,1-3H3,(H,21,23)(H4,19,20,22);/q-1;+1/t11-,12+,13+;/m0./s1
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n/an/a 20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529800
PNG
(CHEMBL4549216)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
Show InChI InChI=1S/C13H24N2O4S/c1-4-9(5-2)19-12-7-10(20(17)18)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)/t11-,12+,13+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529800
PNG
(CHEMBL4549216)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)[S+](O)[O-] |r,c:7|
Show InChI InChI=1S/C13H24N2O4S/c1-4-9(5-2)19-12-7-10(20(17)18)6-11(14)13(12)15-8(3)16/h7,9,11-13H,4-6,14H2,1-3H3,(H,15,16)(H,17,18)/t11-,12+,13+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529804
PNG
(CHEMBL4470736)
Show SMILES CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
Show InChI InChI=1S/C17H32N2O5S/c1-5-8-9-23-25(21,22)14-10-15(18)17(19-12(4)20)16(11-14)24-13(6-2)7-3/h11,13,15-17H,5-10,18H2,1-4H3,(H,19,20)/t15-,16+,17+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529804
PNG
(CHEMBL4470736)
Show SMILES CCCCOS(=O)(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |r,t:8|
Show InChI InChI=1S/C17H32N2O5S/c1-5-8-9-23-25(21,22)14-10-15(18)17(19-12(4)20)16(11-14)24-13(6-2)7-3/h11,13,15-17H,5-10,18H2,1-4H3,(H,19,20)/t15-,16+,17+/m0/s1
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n/an/a 27n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529808
PNG
(CHEMBL4463038)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C14H27BN4O4/c1-4-10(5-2)23-12-7-9(15(21)22)6-11(19-14(16)17)13(12)18-8(3)20/h7,10-13,21-22H,4-6H2,1-3H3,(H,18,20)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529808
PNG
(CHEMBL4463038)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NC(N)=N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C14H27BN4O4/c1-4-10(5-2)23-12-7-9(15(21)22)6-11(19-14(16)17)13(12)18-8(3)20/h7,10-13,21-22H,4-6H2,1-3H3,(H,18,20)(H4,16,17,19)/t11-,12+,13+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529799
PNG
(CHEMBL4575312)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C22H34N2O5S/c1-4-18(5-2)29-21-15-19(14-20(23)22(21)24-16(3)25)30(26,27)28-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14,23H2,1-3H3,(H,24,25)/t20-,21+,22+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529799
PNG
(CHEMBL4575312)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)OCCCc1ccccc1 |r,c:7|
Show InChI InChI=1S/C22H34N2O5S/c1-4-18(5-2)29-21-15-19(14-20(23)22(21)24-16(3)25)30(26,27)28-13-9-12-17-10-7-6-8-11-17/h6-8,10-11,15,18,20-22H,4-5,9,12-14,23H2,1-3H3,(H,24,25)/t20-,21+,22+/m0/s1
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n/an/a 45n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529807
PNG
(CHEMBL4459086)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
Show InChI InChI=1S/C14H26N2O4S/c1-5-10(6-2)20-13-8-11(21(4,18)19)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)/t12-,13+,14+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529807
PNG
(CHEMBL4459086)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(C)(=O)=O |r,c:7|
Show InChI InChI=1S/C14H26N2O4S/c1-5-10(6-2)20-13-8-11(21(4,18)19)7-12(15)14(13)16-9(3)17/h8,10,12-14H,5-7,15H2,1-4H3,(H,16,17)/t12-,13+,14+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529809
PNG
(CHEMBL4463738)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
Show InChI InChI=1S/C20H31N3O4S/c1-4-16(5-2)27-19-13-17(12-18(21)20(19)23-14(3)24)28(25,26)11-8-15-6-9-22-10-7-15/h6-7,9-10,13,16,18-20H,4-5,8,11-12,21H2,1-3H3,(H,23,24)/t18-,19+,20+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529809
PNG
(CHEMBL4463738)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)S(=O)(=O)CCc1ccncc1 |r,c:7|
Show InChI InChI=1S/C20H31N3O4S/c1-4-16(5-2)27-19-13-17(12-18(21)20(19)23-14(3)24)28(25,26)11-8-15-6-9-22-10-7-15/h6-7,9-10,13,16,18-20H,4-5,8,11-12,21H2,1-3H3,(H,23,24)/t18-,19+,20+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529795
PNG
(CHEMBL4529628)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C13H25BN2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13,18-19H,4-6,15H2,1-3H3,(H,16,17)/t11-,12+,13+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529795
PNG
(CHEMBL4529628)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)B(O)O |r,c:7|
Show InChI InChI=1S/C13H25BN2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13,18-19H,4-6,15H2,1-3H3,(H,16,17)/t11-,12+,13+/m0/s1
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n/an/a 730n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529803
PNG
(CHEMBL4460363)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
Show InChI InChI=1S/C13H23BF3N2O2.K/c1-4-10(5-2)21-12-7-9(14(15,16)17)6-11(18)13(12)19-8(3)20;/h7,10-13H,4-6,18H2,1-3H3,(H,19,20);/q-1;+1/t11-,12+,13+;/m0./s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)		BDBM50529803
PNG
(CHEMBL4460363)
Show SMILES [K;v0+].[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)[B-](F)(F)F |r,c:7|
Show InChI InChI=1S/C13H23BF3N2O2.K/c1-4-10(5-2)21-12-7-9(14(15,16)17)6-11(18)13(12)19-8(3)20;/h7,10-13H,4-6,18H2,1-3H3,(H,19,20);/q-1;+1/t11-,12+,13+;/m0./s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/WSN/1933(H1N1)) neuraminidase using MUNANA as fluorogenic substrate preincubated for 10 mins followed by substrate...

Eur J Med Chem 163: 710-721 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.027
BindingDB Entry DOI: 10.7270/Q2XG9VMN
More data for this
Ligand-Target Pair