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Compile Data Set for Download or QSAR

Found 580 hits Enz. Inhib. hit(s) with Target = 'Polymerase acidic protein'   
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509167
PNG
(CHEMBL4539596)
Show SMILES CCc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19)
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n/an/a<2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509167
PNG
(CHEMBL4539596)
Show SMILES CCc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19)
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n/an/a>2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509165
PNG
(CHEMBL4459575)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-1-3-7(4-2-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509159
PNG
(CHEMBL4588964)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C13H8F3NO4/c14-13(15,16)7-4-2-1-3-6(7)8-5-9(18)11(19)10(17-8)12(20)21/h1-5,19H,(H,17,18)(H,20,21)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509161
PNG
(CHEMBL4563716)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509169
PNG
(CHEMBL4545631)
Show SMILES Cc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509169
PNG
(CHEMBL4545631)
Show SMILES Cc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-4-2-3-5-8(7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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n/an/a<2n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509165
PNG
(CHEMBL4459575)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-1-3-7(4-2-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509161
PNG
(CHEMBL4563716)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-2-1-3-7(4-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509155
PNG
(CHEMBL4440123)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-1-3-7(4-2-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509159
PNG
(CHEMBL4588964)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C13H8F3NO4/c14-13(15,16)7-4-2-1-3-6(7)8-5-9(18)11(19)10(17-8)12(20)21/h1-5,19H,(H,17,18)(H,20,21)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509155
PNG
(CHEMBL4440123)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C13H9N5O4/c19-9-5-8(14-10(11(9)20)13(21)22)6-1-3-7(4-2-6)12-15-17-18-16-12/h1-5,20H,(H,14,19)(H,21,22)(H,15,16,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509160
PNG
(CHEMBL4570983)
Show SMILES COc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509170
PNG
(CHEMBL4440338)
Show SMILES OC(=O)c1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509160
PNG
(CHEMBL4570983)
Show SMILES COc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO5/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50612273
PNG
(BALOXAVIR | Baloxavir | S-033447)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509170
PNG
(CHEMBL4440338)
Show SMILES OC(=O)c1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509157
PNG
(CHEMBL4530222)
Show SMILES CC(C)c1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C15H15NO4/c1-8(2)9-5-3-4-6-10(9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509166
PNG
(CHEMBL4550646)
Show SMILES CSc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4S/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509166
PNG
(CHEMBL4550646)
Show SMILES CSc1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4S/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509157
PNG
(CHEMBL4530222)
Show SMILES CC(C)c1ccccc1-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C15H15NO4/c1-8(2)9-5-3-4-6-10(9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509172
PNG
(CHEMBL4553243)
Show SMILES Cc1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-3-2-4-8(5-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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n/an/a 4.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508967
PNG
(CHEMBL3944613)
Show SMILES OC(=O)c1cn(CC2(CCCC2)n2ccc3cccnc23)cc(O)c1=O
Show InChI InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
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n/an/a 5n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509172
PNG
(CHEMBL4553243)
Show SMILES Cc1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-3-2-4-8(5-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509173
PNG
(CHEMBL4469796)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C12H9NO4/c14-9-6-8(7-4-2-1-3-5-7)13-10(11(9)15)12(16)17/h1-6,15H,(H,13,14)(H,16,17)
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n/an/a 5.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509173
PNG
(CHEMBL4469796)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1
Show InChI InChI=1S/C12H9NO4/c14-9-6-8(7-4-2-1-3-5-7)13-10(11(9)15)12(16)17/h1-6,15H,(H,13,14)(H,16,17)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509168
PNG
(CHEMBL4460007)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509154
PNG
(CHEMBL4453833)
Show SMILES CC(C)c1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C15H15NO4/c1-8(2)9-4-3-5-10(6-9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
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n/an/a 6.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509154
PNG
(CHEMBL4453833)
Show SMILES CC(C)c1cccc(c1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C15H15NO4/c1-8(2)9-4-3-5-10(6-9)11-7-12(17)14(18)13(16-11)15(19)20/h3-8,18H,1-2H3,(H,16,17)(H,19,20)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509168
PNG
(CHEMBL4460007)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509152
PNG
(CHEMBL4535893)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-2-4-8(5-3-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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n/an/a 7.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509152
PNG
(CHEMBL4535893)
Show SMILES Cc1ccc(cc1)-c1cc(=O)c(O)c([nH]1)C(O)=O
Show InChI InChI=1S/C13H11NO4/c1-7-2-4-8(5-3-7)9-6-10(15)12(16)11(14-9)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474361
PNG
((S)-6-benzhydryl-11-hydroxy-3-(1H-pyrazol- 4-yl)-5...)
Show SMILES Oc1c2-c3ncc(-c4cn[nH]c4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474361
PNG
((S)-6-benzhydryl-11-hydroxy-3-(1H-pyrazol- 4-yl)-5...)
Show SMILES Oc1c2-c3ncc(-c4cn[nH]c4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474346
PNG
((S)-6-benzhydryl-3-bromo-11-hydroxy-5H- imidazo[1,...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
Show InChI InChI=1S/C23H18BrN3O2/c24-19-13-25-23-21-22(29)18(28)11-12-26(21)17(14-27(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,29H,14H2/t17-/m1/s1
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474354
PNG
((S)-6-((S)-(3-fluorophenyl)(4- fluorophenyl)methyl...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(F)c3)n2ncc1=O |r|
Show InChI InChI=1S/C22H16F2N4O2/c23-15-6-4-13(5-7-15)19(14-2-1-3-16(24)10-14)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474346
PNG
((S)-6-benzhydryl-3-bromo-11-hydroxy-5H- imidazo[1,...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
Show InChI InChI=1S/C23H18BrN3O2/c24-19-13-25-23-21-22(29)18(28)11-12-26(21)17(14-27(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,29H,14H2/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474354
PNG
((S)-6-((S)-(3-fluorophenyl)(4- fluorophenyl)methyl...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(F)c3)n2ncc1=O |r|
Show InChI InChI=1S/C22H16F2N4O2/c23-15-6-4-13(5-7-15)19(14-2-1-3-16(24)10-14)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474343
PNG
((S)-6-Benzhydryl-11-hydroxy-5H- imidazo[1,2-a]pyri...)
Show SMILES Oc1c2-c3nccn3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
Show InChI InChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474343
PNG
((S)-6-Benzhydryl-11-hydroxy-5H- imidazo[1,2-a]pyri...)
Show SMILES Oc1c2-c3nccn3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
Show InChI InChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2/t18-/m1/s1
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O |r|
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474357
PNG
((S)-6-((R)-(2-bromo-4-fluorophenyl)(4- fluoropheny...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(F)cc3Br)n2ncc1=O |r|
Show InChI InChI=1S/C22H15BrF2N4O2/c23-16-9-14(25)5-6-15(16)19(12-1-3-13(24)4-2-12)17-11-28-8-7-26-22(28)20-21(31)18(30)10-27-29(17)20/h1-10,17,19,31H,11H2/t17-,19-/m1/s1
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TBA

Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z60S8G
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O |r|
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474357
PNG
((S)-6-((R)-(2-bromo-4-fluorophenyl)(4- fluoropheny...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(F)cc3Br)n2ncc1=O |r|
Show InChI InChI=1S/C22H15BrF2N4O2/c23-16-9-14(25)5-6-15(16)19(12-1-3-13(24)4-2-12)17-11-28-8-7-26-22(28)20-21(31)18(30)10-27-29(17)20/h1-10,17,19,31H,11H2/t17-,19-/m1/s1
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US Patent
n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)


BindingDB Entry DOI: 10.7270/Q2KH0RDJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A/Puerto Rico/8/34 (H1N1) PA N-terminal domain endonuclease activity expressed in Escherichia coli BL21 (RIL) cells using (6-...


Bioorg Med Chem 23: 5466-75 (2015)


Article DOI: 10.1016/j.bmc.2015.07.046
BindingDB Entry DOI: 10.7270/Q2N87CK3
More data for this
Ligand-Target Pair
Polymerase acidic protein [1-204,T86I,G186S]


(2009 H1N1 Influenza)
BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Rutgers University



Assay Description
Cocktails of 4-8 compounds were used for the initial screening with single compound soaks to verify the bound fragment identity and to rule out coope...


ACS Chem Biol 8: 2501-8 (2013)


Article DOI: 10.1021/cb400400j
BindingDB Entry DOI: 10.7270/Q28W3BZW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50409783
PNG
(CHEMBL1626982 | CHEMBL2068710 | CHEMBL2068711 | CH...)
Show SMILES [O-]C(=O)C(=O)[CH-]C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H23ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,28,29)/q-1/p-1
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n/an/a 12n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza A/PR/8/34 RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
BindingDB Entry DOI: 10.7270/Q22J6B6V
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50509158
PNG
(CHEMBL4438546)
Show SMILES OC(=O)c1[nH]c(cc(=O)c1O)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H13NO5/c20-15-10-14(19-16(17(15)21)18(22)23)11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-10,21H,(H,19,20)(H,22,23)
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n/an/a 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus RNA-dependent RNA polymerase PA N-terminal endonuclease using [6-FAM]AATCGCAGGCAGCACTC[TAM] substrate and measured ov...


J Med Chem 62: 9438-9449 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00747
BindingDB Entry DOI: 10.7270/Q27M0C7P
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508966
PNG
(CHEMBL4452342)
Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)
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n/an/a 13n/an/an/an/an/an/a



University of California San Diego

Curated by ChEMBL


Assay Description
Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA...


J Med Chem 59: 6444-54 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00628
BindingDB Entry DOI: 10.7270/Q2W95DPM
More data for this
Ligand-Target Pair
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