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Compile Data Set for Download or QSAR

Found 141 hits of ic50 for UniProtKB: P03433   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PA/PB1


(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)

More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385528
PNG
(CHEMBL2040586)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H23Cl2NO4/c24-18-5-1-16(2-6-18)14-23(21(28)13-20(27)22(29)30)9-11-26(12-10-23)15-17-3-7-19(25)8-4-17/h1-8H,9-15H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385568
PNG
(CHEMBL2040640)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(C1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385568
PNG
(CHEMBL2040640)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(C1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 190n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/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/h6-9,18H,1-5,10-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/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/h6-9,18H,1-5,10-16H2,(H,28,29)
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Shandong University

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/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/h6-9,18H,1-5,10-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)
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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
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 430n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA/PB1


(Hepatitis C virus)
BDBM50125801
PNG
(4-[1-Benzyl-4-(4-chloro-benzyl)-piperidin-4-yl]-2-...)
Show SMILES OC(=O)C(=O)CC(=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/h1-9H,10-16H2,(H,28,29)
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Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385528
PNG
(CHEMBL2040586)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H23Cl2NO4/c24-18-5-1-16(2-6-18)14-23(21(28)13-20(27)22(29)30)9-11-26(12-10-23)15-17-3-7-19(25)8-4-17/h1-8H,9-15H2,(H,29,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385528
PNG
(CHEMBL2040586)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H23Cl2NO4/c24-18-5-1-16(2-6-18)14-23(21(28)13-20(27)22(29)30)9-11-26(12-10-23)15-17-3-7-19(25)8-4-17/h1-8H,9-15H2,(H,29,30)
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Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/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/h6-9,18H,1-5,10-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385531
PNG
(CHEMBL2040602)
Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-10,17,21H,1-3H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385531
PNG
(CHEMBL2040602)
Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-10,17,21H,1-3H3
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Shandong University

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125833
PNG
(3-(4-Fluoro-benzylidene)-1-hydroxy-5-isobutyl-3H-p...)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)n(O)c1=O |w:7.7,3.2|
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17,21H,1-2H3
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Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125833
PNG
(3-(4-Fluoro-benzylidene)-1-hydroxy-5-isobutyl-3H-p...)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)n(O)c1=O |w:7.7,3.2|
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17,21H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125833
PNG
(3-(4-Fluoro-benzylidene)-1-hydroxy-5-isobutyl-3H-p...)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)n(O)c1=O |w:7.7,3.2|
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17,21H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385529
PNG
(CHEMBL2040587)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385529
PNG
(CHEMBL2040587)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385529
PNG
(CHEMBL2040587)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385532
PNG
(CHEMBL2040603)
Show SMILES CC(C)C=c1[nH]c(=Cc2cccc(F)c2)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)6-12-14(19)18(21)15(20)13(17-12)8-10-4-3-5-11(16)7-10/h3-9,17,21H,1-2H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385529
PNG
(CHEMBL2040587)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Influenza replication


Antimicrob Agents Chemother 40: 1304-7 (1996)

More data for this
Ligand-Target Pair
PA/PB1


(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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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385534
PNG
(CHEMBL2040605)
Show SMILES COc1ccc(C=c2[nH]c(=Cc3ccccc3)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C19H16N2O4/c1-25-15-9-7-14(8-10-15)12-17-19(23)21(24)18(22)16(20-17)11-13-5-3-2-4-6-13/h2-12,20,24H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385534
PNG
(CHEMBL2040605)
Show SMILES COc1ccc(C=c2[nH]c(=Cc3ccccc3)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C19H16N2O4/c1-25-15-9-7-14(8-10-15)12-17-19(23)21(24)18(22)16(20-17)11-13-5-3-2-4-6-13/h2-12,20,24H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50409801
PNG
(CHEMBL16525)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccc3c(C(=O)c4ccccc4)c(O)n(O)c3c2)c1
Show InChI InChI=1S/C23H17N3O6/c27-20(13-5-2-1-3-6-13)19-17-10-9-16(12-18(17)26(32)21(19)28)25-23(31)24-15-8-4-7-14(11-15)22(29)30/h1-12,28,32H,(H,29,30)(H2,24,25,31)
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n/an/a 3.00E+3n/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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50409801
PNG
(CHEMBL16525)
Show SMILES OC(=O)c1cccc(NC(=O)Nc2ccc3c(C(=O)c4ccccc4)c(O)n(O)c3c2)c1
Show InChI InChI=1S/C23H17N3O6/c27-20(13-5-2-1-3-6-13)19-17-10-9-16(12-18(17)26(32)21(19)28)25-23(31)24-15-8-4-7-14(11-15)22(29)30/h1-12,28,32H,(H,29,30)(H2,24,25,31)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


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


Bioorg Med Chem 16: 4203-21 (2008)


Article DOI: 10.1016/j.bmc.2008.02.069
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385535
PNG
(CHEMBL2040606)
Show SMILES On1c(=O)c(=Cc2ccccc2)[nH]c(=Cc2ccc(F)cc2)c1=O |w:5.5,14.15|
Show InChI InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-11,20,24H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385535
PNG
(CHEMBL2040606)
Show SMILES On1c(=O)c(=Cc2ccccc2)[nH]c(=Cc2ccc(F)cc2)c1=O |w:5.5,14.15|
Show InChI InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-11,20,24H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50152559
PNG
(4-Biphenyl-4-yl-2,4-dioxo-butyric acid | CHEMBL182...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


Antimicrob Agents Chemother 38: 2827-37 (1995)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385530
PNG
(CHEMBL2040601)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccccc2)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C15H16N2O3/c1-10(2)8-12-14(18)17(20)15(19)13(16-12)9-11-6-4-3-5-7-11/h3-10,16,20H,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125793
PNG
(4-(4-Cyclohexyl-phenyl)-2-hydroxy-4-oxo-but-2-enoi...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C16H18O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125822
PNG
(1-Hydroxy-5-isobutyl-3-isobutylidene-3H-pyrazine-2...)
Show SMILES CC(C)C=c1[nH]c(=CC(C)C)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5-8,13,17H,1-4H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL




J Med Chem 60: 3533-3551 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01227
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125822
PNG
(1-Hydroxy-5-isobutyl-3-isobutylidene-3H-pyrazine-2...)
Show SMILES CC(C)C=c1[nH]c(=CC(C)C)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5-8,13,17H,1-4H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125822
PNG
(1-Hydroxy-5-isobutyl-3-isobutylidene-3H-pyrazine-2...)
Show SMILES CC(C)C=c1[nH]c(=CC(C)C)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5-8,13,17H,1-4H3
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Roche Discovery Welwyn

Curated by ChEMBL


Assay Description
Inhibitory concentration against cap-dependent endonuclease activity of influenza virus RNP


J Med Chem 46: 1153-64 (2003)


Article DOI: 10.1021/jm020334u
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385536
PNG
(CHEMBL2040608)
Show SMILES On1c(=O)c(=Cc2ccccc2)[nH]c(=Cc2ccc(F)cc2)c1=O |w:14.15,5.5|
Show InChI InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-11,20,24H
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385533
PNG
(CHEMBL2040604)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccccc2F)c(=O)n(O)c1=O |w:3.2,7.7|
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-5-3-4-6-11(10)16/h3-9,17,21H,1-2H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cap 1 ALMV primed Influenza transcriptase


J Org Chem 66: 5504-16 (2001)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50409780
PNG
(CHEMBL16239)
Show SMILES Oc1c(C(=O)c2ccccc2)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2n1O
Show InChI InChI=1S/C26H18N2O4/c29-24(17-7-2-1-3-8-17)23-21-13-12-20(15-22(21)28(32)26(23)31)27-25(30)19-11-10-16-6-4-5-9-18(16)14-19/h1-15,31-32H,(H,27,30)
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n/an/a 8.00E+3n/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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50409805
PNG
(CHEMBL278443)
Show SMILES CCC(=O)c1c(O)n(O)c2cc(NC(=O)C=Cc3ccccc3Cl)ccc12 |w:16.16|
Show InChI InChI=1S/C20H17ClN2O4/c1-2-17(24)19-14-9-8-13(11-16(14)23(27)20(19)26)22-18(25)10-7-12-5-3-4-6-15(12)21/h3-11,26-27H,2H2,1H3,(H,22,25)
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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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50109350
PNG
(CHEMBL3600948)
Show SMILES Oc1ccc(\C=N\Nc2ccc(Cl)cc2)c(O)c1O
Show InChI InChI=1S/C13H11ClN2O3/c14-9-2-4-10(5-3-9)16-15-7-8-1-6-11(17)13(19)12(8)18/h1-7,16-19H/b15-7+
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n/an/a 8.30E+3n/an/an/an/an/an/a



Chiba University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A/Perto Rico/8/34 (PR8) (H1N1) PA N-terminal domain (1 to 197) endonuclease activity expressed in Escherichia coli Rosetta (D...


Bioorg Med Chem 23: 5466-75 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA/PB1


(Hepatitis C virus)
BDBM50409787
PNG
(CHEMBL16377)
Show SMILES CC(=O)c1c(O)n(O)c2cc(NC(=O)c3ccc4ccccc4c3)ccc12
Show InChI InChI=1S/C21H16N2O4/c1-12(24)19-17-9-8-16(11-18(17)23(27)21(19)26)22-20(25)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26-27H,1H3,(H,22,25)
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n/an/a 9.00E+3n/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
More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50409804
PNG
(CHEMBL16453)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1
Show InChI InChI=1S/C20H15N3O5/c1-11-9-15(22-28-11)19(25)21-13-7-8-14-16(10-13)23(27)20(26)17(14)18(24)12-5-3-2-4-6-12/h2-10,26-27H,1H3,(H,21,25)
PDB
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UniProtKB/SwissProt

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PC cid
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UniChem
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PubMed
n/an/a 9.50E+3n/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
More data for this
Ligand-Target Pair
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