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PubMed code 20886838

Compile data set for download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuraminidase


(Influenza A virus)		BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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 1.20E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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 2.49E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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 3.41E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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 4.14E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) neuraminidase expressed in human 293T cells by Dixon plot analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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n/an/a 2.55E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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n/an/a 3.31E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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n/an/a 5.03E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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n/an/a 8.15E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
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 1.03E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
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 1.23E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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n/an/a 1.86E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482872
PNG
(CHEBI:70655 | CHEMBL1271157)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-6-12-4-7-13(19)8-5-12/h4-9,19,21-22H,1-3H3/b9-6+
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n/an/a 2.05E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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n/an/a 2.17E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of oseltamivir-resistant Influenza A virus (A/California/08/2009(H1N1)) neuraminidase H274Y mutant expressed in human 293T cells after 30 ...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482871
PNG
(CHEBI:66265 | CHEMBL509947)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-10-16(21)11(2)18(23-3)15(17(10)22)14(20)9-8-12-6-4-5-7-13(12)19/h4-9,19,21-22H,1-3H3/b9-8+
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n/an/a 2.81E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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n/an/a 3.25E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482882
PNG
(CHEBI:70658 | CHEMBL463095)
Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+
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n/an/a 3.52E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
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 5.15E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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n/an/a 6.65E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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n/an/a 8.57E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482873
PNG
(CHEBI:70659 | CHEMBL1271362)
Show SMILES COc1cc(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-10,19-20H,1-2H3/b9-8+
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n/an/a 9.38E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/California/08/2009(H1N1)) wild type neuraminidase expressed in human 293T cells after 30 mins by spectrofluorimetr...

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM5025
PNG
(Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...)
Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
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 9.52E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482874
PNG
(CHEBI:70660 | CHEMBL1271363)
Show SMILES COc1c(C)c2O[C@@H](CC(=O)c2c(O)c1C=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H16O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
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n/an/a 2.56E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482874
PNG
(CHEBI:70660 | CHEMBL1271363)
Show SMILES COc1c(C)c2O[C@@H](CC(=O)c2c(O)c1C=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H16O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
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n/an/a 2.69E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482875
PNG
(CHEBI:70654 | CHEMBL1271156)
Show SMILES COc1c(C)c(O)c(C)c2O[C@@](O)(CC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1S/C18H18O5/c1-10-15(20)11(2)17-14(16(10)22-3)13(19)9-18(21,23-17)12-7-5-4-6-8-12/h4-8,20-21H,9H2,1-3H3/t18-/m0/s1
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n/an/a 2.83E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482875
PNG
(CHEBI:70654 | CHEMBL1271156)
Show SMILES COc1c(C)c(O)c(C)c2O[C@@](O)(CC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1S/C18H18O5/c1-10-15(20)11(2)17-14(16(10)22-3)13(19)9-18(21,23-17)12-7-5-4-6-8-12/h4-8,20-21H,9H2,1-3H3/t18-/m0/s1
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n/an/a 2.85E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482876
PNG
(CHEBI:70661 | CHEMBL1271364)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H16O5/c1-10-16(21)15-13(20)8-14(11-6-4-3-5-7-11)23-18(15)12(9-19)17(10)22-2/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
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n/an/a 2.90E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482876
PNG
(CHEBI:70661 | CHEMBL1271364)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H16O5/c1-10-16(21)15-13(20)8-14(11-6-4-3-5-7-11)23-18(15)12(9-19)17(10)22-2/h3-7,9,14,21H,8H2,1-2H3/t14-/m0/s1
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n/an/a 2.99E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50278269
PNG
(6,8-Dimethylpinocembrin | CHEBI:70664 | Demethoxym...)
Show SMILES Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1
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n/an/a 3.19E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50278269
PNG
(6,8-Dimethylpinocembrin | CHEBI:70664 | Demethoxym...)
Show SMILES Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C17H16O4/c1-9-15(19)10(2)17-14(16(9)20)12(18)8-13(21-17)11-6-4-3-5-7-11/h3-7,13,19-20H,8H2,1-2H3/t13-/m0/s1
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n/an/a 3.34E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482883
PNG
(CHEBI:70656 | CHEMBL1271260)
Show SMILES COc1c(C)c(O)c(C)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3
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n/an/a 3.63E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482881
PNG
(CHEMBL1271155)
Show SMILES Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,15,17-19,21H,1-2H3/t15-,17+/m0/s1
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n/an/a 3.68E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482881
PNG
(CHEMBL1271155)
Show SMILES Cc1c(O)c(C)c2O[C@@H]([C@@H](O)C(=O)c2c1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,15,17-19,21H,1-2H3/t15-,17+/m0/s1
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n/an/a 3.75E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482880
PNG
(CHEBI:70652 | CHEMBL1269031)
Show SMILES COc1c(C)c(O)c(C)c2occ(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C18H16O4/c1-10-15(19)11(2)18-14(17(10)21-3)16(20)13(9-22-18)12-7-5-4-6-8-12/h4-9,19H,1-3H3
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n/an/a 3.91E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482883
PNG
(CHEBI:70656 | CHEMBL1271260)
Show SMILES COc1c(C)c(O)c(C)c2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-10-16(20)11(2)18-15(17(10)21-3)13(19)9-14(22-18)12-7-5-4-6-8-12/h4-9,20H,1-3H3
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n/an/a 4.14E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482880
PNG
(CHEBI:70652 | CHEMBL1269031)
Show SMILES COc1c(C)c(O)c(C)c2occ(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C18H16O4/c1-10-15(19)11(2)18-14(17(10)21-3)16(20)13(9-22-18)12-7-5-4-6-8-12/h4-9,19H,1-3H3
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n/an/a 4.31E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482877
PNG
(CHEBI:70657 | CHEMBL53343)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482879
PNG
(CHEBI:70663 | CHEMBL1269161)
Show SMILES Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482877
PNG
(CHEBI:70657 | CHEMBL53343)
Show SMILES COc1c(C)c(O)c2C(=O)C[C@H](Oc2c1C)c1ccccc1
Show InChI InChI=1S/C18H18O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-8,14,20H,9H2,1-3H3/t14-/m0/s1
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Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482878
PNG
(CHEBI:70662 | CHEMBL1269826)
Show SMILES COc1cc(O)c(C)c2O[C@@H](CC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O4/c1-10-12(18)8-15(20-2)16-13(19)9-14(21-17(10)16)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
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UniChem
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n/an/a>5.00E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/chicken/Korea/01310/2001 (H9N2)) neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482878
PNG
(CHEBI:70662 | CHEMBL1269826)
Show SMILES COc1cc(O)c(C)c2O[C@@H](CC(=O)c12)c1ccccc1 |r|
Show InChI InChI=1S/C17H16O4/c1-10-12(18)8-15(20-2)16-13(19)9-14(21-17(10)16)11-6-4-3-5-7-11/h3-8,14,18H,9H2,1-2H3/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)		BDBM50482879
PNG
(CHEBI:70663 | CHEMBL1269161)
Show SMILES Cc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccccc1 |r|
Show InChI InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Sw/Kor/CAH1/04 (H1N1) KCTC 11165BP neuraminidase after 30 mins by spectrofluorimetric analysis

J Nat Prod 73: 1636-42 (2010)


Article DOI: 10.1021/np1002753
BindingDB Entry DOI: 10.7270/Q2DZ0C4B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%