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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Polymerase acidic protein' AND taxid = 132504   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/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/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 480n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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n/an/a 940n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122447
PNG
(CHEMBL3622460)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCCNC(=O)c1cc2cc(O)c(O)cc2[nH]1
Show InChI InChI=1S/C22H22N4O6/c27-17-7-11-5-15(25-13(11)9-19(17)29)21(31)23-3-1-2-4-24-22(32)16-6-12-8-18(28)20(30)10-14(12)26-16/h5-10,25-30H,1-4H2,(H,23,31)(H,24,32)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122443
PNG
(CHEMBL3622457)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCCCNC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H20N4O4/c26-18-10-13-9-17(25-15(13)11-19(18)27)21(29)23-7-3-6-22-20(28)16-8-12-4-1-2-5-14(12)24-16/h1-2,4-5,8-11,24-27H,3,6-7H2,(H,22,28)(H,23,29)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122439
PNG
(CHEMBL3622453)
Show SMILES Cc1cc(NC(=O)c2c(O)nc(O)[nH]c2=O)no1
Show InChI InChI=1S/C9H8N4O5/c1-3-2-4(13-18-3)10-6(14)5-7(15)11-9(17)12-8(5)16/h2H,1H3,(H,10,13,14)(H3,11,12,15,16,17)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122440
PNG
(CHEMBL3622454)
Show SMILES OC(=O)CCc1nn2c(nc3ccccc23)nc1O
Show InChI InChI=1S/C12H10N4O3/c17-10(18)6-5-8-11(19)14-12-13-7-3-1-2-4-9(7)16(12)15-8/h1-4H,5-6H2,(H,17,18)(H,13,14,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122441
PNG
(CHEMBL3622455)
Show SMILES OC(=O)CCc1nnc(SCc2ccc(Cl)cc2)nc1O
Show InChI InChI=1S/C13H12ClN3O3S/c14-9-3-1-8(2-4-9)7-21-13-15-12(20)10(16-17-13)5-6-11(18)19/h1-4H,5-7H2,(H,18,19)(H,15,17,20)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122442
PNG
(CHEMBL3622456)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCOCC1
Show InChI InChI=1S/C14H18N4O3/c1-19-11-7-9-10(8-12(11)20-2)16-14(17-13(9)15)18-3-5-21-6-4-18/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122444
PNG
(CHEMBL3622458)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)CC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C15H14N4O4/c20-14(16-11-4-2-1-3-5-11)10-15(21)18-17-12-6-8-13(9-7-12)19(22)23/h1-9,17H,10H2,(H,16,20)(H,18,21)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122445
PNG
(CHEMBL463072)
Show SMILES CCOC(=O)c1c(O)c2cc(OC)ccc2n(C)c1=O
Show InChI InChI=1S/C14H15NO5/c1-4-20-14(18)11-12(16)9-7-8(19-3)5-6-10(9)15(2)13(11)17/h5-7,16H,4H2,1-3H3
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122446
PNG
(CHEMBL3622459)
Show SMILES Cc1[nH]nc2oc(=O)cc(C)c12
Show InChI InChI=1S/C8H8N2O2/c1-4-3-6(11)12-8-7(4)5(2)9-10-8/h3H,1-2H3,(H,9,10)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122438
PNG
(CHEMBL1611341)
Show SMILES OC(=O)CC1N(CCCc2ccccc2)CCNC1=O
Show InChI InChI=1/C15H20N2O3/c18-14(19)11-13-15(20)16-8-10-17(13)9-4-7-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,20)(H,18,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122371
PNG
(CHEMBL3622452)
Show SMILES OC(=O)c1nccnc1C(=O)Nc1nc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C12H8N6O3S/c19-10(7-8(11(20)21)14-4-3-13-7)16-12-15-9(17-18-12)6-2-1-5-22-6/h1-5H,(H,20,21)(H2,15,16,17,18,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122370
PNG
(CHEMBL3622451)
Show SMILES CNC(=O)c1cccc(Nc2nc(O)nc(O)c2C#N)c1
Show InChI InChI=1S/C13H11N5O3/c1-15-11(19)7-3-2-4-8(5-7)16-10-9(6-14)12(20)18-13(21)17-10/h2-5H,1H3,(H,15,19)(H3,16,17,18,20,21)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122368
PNG
(CHEMBL3622449)
Show SMILES OC(=O)C1C(C(C(C(C1C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair
Polymerase acidic protein


(Influenza A virus (strain A/X-31 H3N2))
BDBM50122369
PNG
(CHEMBL3622450)
Show SMILES Cc1nc(SCc2ccccc2)nc(O)c1CC(O)=O
Show InChI InChI=1S/C14H14N2O3S/c1-9-11(7-12(17)18)13(19)16-14(15-9)20-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,17,18)(H,15,16,19)
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Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant Influenza virus A/X-31 N-terminal RdRp PA subunit (1 to 217) expressed in Escherichia coli using single-stranded circular D...


ACS Med Chem Lett 6: 866-71 (2015)

More data for this
Ligand-Target Pair